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1 | ID | Name | Synonym | CAS | SMILES | Formula | MolWt | Pathways | Target | Receptor | Bioactivity | Reference | Source | Selected Plant | structural classes | Condition | other countries | Clinical Stage | Disease | Indication | Percentage | Number | |||||||
2 | T0002 | Ethamsylate | Etamsylate; Cyclonamine; Aglumin; Dicynene | 2624-44-4 | Oc1cc(c(O)cc1)S(=O)(=O)O.C(NCC)C | C10H17NO5S | 263.31 | GPCR/G Protein; Immunology/Inflammation | Prostaglandin Receptor | Prostaglandin Receptor | Ethamsylate usually is used as a hemostatic drug, which increases capillary endothelial resistance and platelet adhesion, and inhibits biosynthesis and action of prostaglandins. | Kovács L, et al. Experientia, 1981, 37(11), 1182-1183 | Others Approved | NMPA | Marketed | Cardiovascular system | Platelet Dysfunction | USA FDA approved | 18% | 1497 | |||||||||
3 | T0003 | Sodium Nitroprusside | Nitroprusside Sodium; Ro 21-2498; Sodium Nitroferricyanide | 14402-89-2 | [Na+].[Na+].O=N[Fe--](C#N)(C#N)(C#N)(C#N)C#N | Na2Fe(CN)5NO | 261.92 | Others | Others | Atrial natriuretic peptide receptor 1 | Sodium Nitroprusside is a potent vasodilator, releasing in blood with no spontaneously. | Wink DA, et al. Arch Biochem Biophys, 1996, 331(2), 241-8. | FDA Approved | FDA | Marketed | Cardiovascular system | Hypertension | In other country | 10% | 845 | |||||||||
4 | T0004 | Salicylamide | 2-Hydroxybenzamide; Salamide | 65-45-2 | NC(=O)C1=CC=CC=C1O | C7H7NO2 | 137.14 | Immunology/Inflammation; Neuroscience | COX | COX-1; COX-2 | Salicylamide is an over-the-counter drug with analgesic and antipyretic properties, which has similar medicinal properties to aspirin. In the over-the-counter pain remedies, Salicylamide is used in combination with both aspirin and caffeine. | Manin AN, et al. J Phys Chem B. 2014 Jun 19;118(24):6803-14. | Animal | Phenols | Others Approved | PMDA | Marketed | Immune system | Pain; Fever | In clinical trials | 13% | 1115 | |||||||
5 | T0005 | Aspirin | Acetylsalicylic Acid; ASA; Acetylsalicylate | 50-78-2 | CC(=O)OC1=CC=CC=C1C(O)=O | C9H8O4 | 180.16 | Autophagy; Immunology/Inflammation; Neuroscience; Microbiology/virology | Autophagy; COX; Mitophagy; Virus Protease | Autophagy; COX; COX-1; COX-2; Mitophagy; Virus Protease | Acetylsalicylic acid is a potent and selective inhibitor of COX with various pharmacological activities, such as anti-inflammation and pain relief. Acetylsalicylic acid is a histone deacetylase inhibitors to up-regulate cell cycle arrest protein p21, which can suppresses ovarian Y cells harboring COX-1. Acetylsalicylic acid also inhibits the expression of COX-2 in HUVEC and neonatal rat ventricular cardiomyocytes, and then reduce PG production and the down-regulation of ERK and NF-KB, respectively. | Kopp E, et al. Science, 1994, 265(5174), 956-959. | FDA Approved | FDA | Marketed | Immune system | Pain; Fever; And Inflammation | Not in the clinic | 59% | 4929 | |||||||||
6 | T0006 | Methylene Blue trihydrate | Methylene Blue; Basic blue 9; Methylthionine chloride | 7220-79-3 | O.O.O.[Cl-].CN(C)c1ccc2nc3cc\c(cc3sc2c1)=[N+](/C)C | C16H24ClN3O3S | 373.9 | Cytoskeletal Signaling; GPCR/G Protein; Immunology/Inflammation; Microbiology/virology; Neuroscience | Guanylate cyclase; Microtubule Associated; monoamine oxidase; NO Synthase; Parasite | Guanylate Cyclase; Monoamine Oxidase; NO Synthase; Parasite; Tau aggregation | Methylene blue is a compound consisting of dark green crystals or crystalline powder, having a bronze-like luster. Solutions in water or alcohol have a deep blue color. Methylene blue is used as a bacteriologic stain and as an indicator. It inhibits soluble guanylyl cyclase and has been used to treat cyanide poisoning and to lower levels of methemoglobin. It also inhibits tau filament formation (IC50: 1.9μM). | Rager T, et al. Phys Chem Chem Phys. 2012 Jun 14;14(22):8074-82. | FDA Approved | FDA | Marketed | Others | Haemoglobinopathies | ||||||||||||
7 | T0007 | Atenolol | (RS)-Atenolol; Tenormin; Normiten; Blokium | 29122-68-7 | CC(C)NCC(O)COc1ccc(CC(=O)N)cc1 | C14H22N2O3 | 266.34 | GPCR/G Protein; Neuroscience | Adrenergic Receptor | Adrenergic Receptor; β1-adrenergic receptor; β2-adrenergic receptor | Atenolol is a selective β1 receptor antagonist. | Nuttall SL, et al. J Clin Pharm Ther. 2003 Jun;28(3):179-86. | FDA Approved | FDA | Marketed | Cardiovascular system | Cardiovascular disorders | ||||||||||||
8 | T0008 | Phenytoin sodium | 5,5-Diphenylhydantoin sodium salt; Diphenylhydantoin Sodium; Dilantin sodium; Diphantoine | 630-93-3 | [Na+].O=C1NC(C(=O)[N-]1)(c1ccccc1)c1ccccc1 | C15H11N2NaO2 | 274.25 | Membrane transporter/Ion channel; Microbiology/virology | Sodium Channel; Virus Protease | Sodium Channel; Virus Protease | Phenytoin sodium is an inactive stabilizer for voltage-gated sodium channel . | Lenkowski PW, et al. Eur J Pharm Sci. 2004 Apr;21(5):635-44. | FDA Approved | FDA | Marketed | Nervous system | Epilepsy | ||||||||||||
9 | T0009 | Flubendazole | Flumoxanal; NSC 313680; Flumoxane; Fluvermal | 31430-15-6 | COC(=O)Nc1nc2c([nH]1)cc(cc2)C(=O)c1ccc(F)cc1 | C16H12FN3O3 | 313.29 | Apoptosis; Cytoskeletal Signaling; Microbiology/virology | Apoptosis; Microtubule Associated; Parasite | Apoptosis; microtubule; Microtubule/Tubulin; Parasite | Flubendazole is available OTC in Europe that is an anthelmintic using to treat worm infection in humans. | Hou ZJ, et al. Oncotarget. 2015 Jan 21;6(8):6326-40. | Others Approved | France,Hong Kong | Marketed | Immune system;Infection | Worm Infection | ||||||||||||
10 | T0010 | 6-Mercaptopurine | Mercaptopurine; 6-MP; 6-Mercaptopurine | 50-44-2 | S=c1nc[nH]c2c1[nH]cn2 | C5H4N4S | 152.18 | Autophagy; Cell Cycle/Checkpoint; DNA Damage/DNA Repair; Metabolism | Autophagy; Dehydrogenase; Endogenous Metabolite; Nucleoside Antimetabolite/Analog | Autophagy; Endogenous Metabolite; HPRT; IMPDH; Nucleoside Antimetabolite/Analog | Mercaptopurine is an antimetabolite antineoplastic agent with immunosuppressant properties. It interferes with nucleic acid synthesis by inhibiting purine metabolism and is used, usually in combination with other drugs, in the treatment of or in remission maintenance programs for leukemia. | Dubinsky MC, et al. Clin Gastroenterol Hepatol. 2004 Sep;2(9):731-43. | FDA Approved | FDA | Marketed | Cancer | Acute Lymphoblastic Leukaemia | ||||||||||||
11 | T0011 | 2-Phenylethanol | Phenethyl alcohol; Benzyl carbinol; 2-Phenylethanol; 2-Phenylethyl alcohol; Benzeneethanol; Phenylethanol | 60-12-8 | OCCC1=CC=CC=C1 | C8H10O | 122.16 | Microbiology/virology | Antibacterial; Antibiotic; Virus Protease | Antibiotic; Bacterial; Virus Protease | Phenethyl alcohol is an antimicrobial, antiseptic, and disinfectant. It is used also as an aromatic essence and preservative in pharmaceutics and perfumery. | Lingappa BT, et al. Science. 1969 Jan 10;163(3863):192-4. | Plant | Others | |||||||||||||||
12 | T0012 | Cinchonine | LA40221; (8R,9S)-Cinchonine | 118-10-5 | O[C@H]([C@H]1C[C@@H]2CC[N@]1C[C@@H]2C=C)c1ccnc2ccccc12 | C19H22N2O | 294.39 | Apoptosis; Membrane transporter/Ion channel; Neuroscience; Microbiology/virology | Apoptosis; P-gp; Parasite | Apoptosis; P-gp (P-glycoprotein); Parasite | Cinchonine, a local anesthetic of the amide type, now generally used for surface anesthesia. It is one of the most potent and toxic of the long-acting local narcotics and its parenteral use is restricted to spinal anesthesia. | Oka M, et al. Eur J Pharmacol. 2002 Oct 4;452(2):175-81. | Plant | Cinchona ledgeriana (Howard) Moens ex Trim. | Alkaloids | Clinical | Phase 1 no development reported | Cancer | Cancer | ||||||||||
13 | T0014 | Anethole | cis-Anethol; Isoestragole; p-Propenylanisole; Anethole; Anise camphor; cis-Anethole; Cis-p-Propenylanisole | 104-46-1 | COc1ccc(C=CC)cc1 | C10H12O | 148.2 | Others | Others | Others | Anethole is a type of aromatic compound that exists widely in nature, widely utilized as a seasoning substance. | Shimoni E, et al. J Biol Chem. 2002 Apr 5;277(14):11866-72. | Plant | Foeniculum vulgare | Others | ||||||||||||||
14 | T0015 | Mephenesin | Decontractyl; Cresoxydiol; Memphenesin; Mephedan | 59-47-2 | Cc1ccccc1OCC(O)CO | C10H14O3 | 182.22 | Membrane Transporter/Ion Channel; Neuroscience | iGluR; NMDAR | iGluR; NMDA receptor | Mephenesin is a centrally acting muscle relaxant with a short duration of action. | Prescrire Int. 2013 May;22(138):127-8. | Others Approved | NMPA | Marketed | Others | Muscle Relaxant | ||||||||||||
15 | T0017 | Phenolphthalein | Phthalimetten; Euchessina; Phthalin | 77-09-8 | Oc1ccc(cc1)C1(OC(=O)c2ccccc12)c1ccc(O)cc1 | C20H14O4 | 318.33 | Others | Others | Others | Phenolphthalein is an acid-base indicator which is colorless in acid solution, but turns pink to red as the solution becomes alkaline. It is used medicinally as a cathartic. | Uesawa Y, et al. Arch Toxicol. 2007 Mar;81(3):163-8. | Others Approved | PMDA,NMPA | Marketed | Digestive system | intractable constipation | ||||||||||||
16 | T0018 | Procainamide hydrochloride | Procainamide HCl; Pronestyl; Procanbid; Procapan | 614-39-1 | Cl.CCN(CC)CCNC(=O)c1ccc(N)cc1 | C13H21N3O·HCl | 271.79 | Autophagy; Chromatin/Epigenetic; Membrane transporter/Ion channel; Neuroscience | AChR; Autophagy; DNA Methyltransferase; Sodium Channel | AChR; Autophagy; DNA (cytosine-5)-methyltransferase 1; Sodium Channel | Procainamide Hydrochloride is the hydrochloride salt form of procainamide, an amide derivative exhibiting class 1A antiarrhythmic property and analog of procaine. Procainamide hydrochloride reversibly binds to and blocks activated (open) voltage-gated sodium channels, thereby blocks the influx of sodium ions into the cell, which leads to an increase in threshold for excitation and inhibit depolarization during phase 0 of the action potential. | Wojnarowska Z, et al. J Chem Phys. 2012 Apr 28;136(16):164507. | FDA Approved | FDA | Marketed | Cardiovascular system | Cardiac Arrhythmias | ||||||||||||
17 | T0019 | Betaine chloride | Betaine hydrochloride; Betaine chloride | 590-46-5 | [Cl-].C[N+](C)(C)CC(O)=O | C5H12ClNO2 | 153.61 | Membrane transporter/Ion channel; Metabolism | Chloride channel; Endogenous Metabolite | Circadian clock protein KaiB; Endogenous Metabolite; Glycine betaine-binding periplasmic protein | Betaine hydrochloride is an acidic form of betaine, a vitamin-like substance observed in grains and other foods; gains the amplification of DNA by decreasing the formation of secondary structure in GC-rich regions. | Lee I. Biochem Biophys Res Commun. 2015 Jan 9;456(2):621-5. | Plant | Beta vulgaris | Alkaloids | FDA Approved | FDA | Marketed | Metabolism | Homocystinuria | |||||||||
18 | T0020 | Sodium 4-aminosalicylate dihydrate | 4-Amino-salicylic acid sodium salt; Sodium 4-Aminosalicylate | 6018-19-5 | O.[Na+].Nc1cc(O)c(cc1)C(=O)[O-].O | C7H6NNaO3·2H2O | 211.15 | Microbiology/virology; NF-κB; oxidation-reduction | Antibacterial; Antibiotic; Free radical scavengers; NF-κB | Antibiotic; Bacterial; Free radical scavengers; NF-κB | Aminosalicylate Sodium is the sodium salt form of aminosalicylic acid, an analog of para-aminobenzoic acid (PABA) with antitubercular activity. Aminosalicylate sodium exerts its bacteriostatic activity against Mycobacterium tuberculosis by competing with PABA for enzymes involved in folate synthesis, thereby suppressing growth and reproduction of M. tuberculosis, eventually leading to cell death. | Dinis TC, et al. Arch Biochem Biophys, 1994, 315(1), 161-169. | FDA Approved | FDA | Marketed | Respiratory system;Infection | Extrapulmonary Tubereulosis | ||||||||||||
19 | T0022 | Taurine | 2-Aminoethanesulfonic acid | 107-35-7 | NCCS(=O)(=O)O | C2H7NO3S | 125.15 | Autophagy; Metabolism | Autophagy; Endogenous Metabolite; LDL | Autophagy; Endogenous Metabolite; LDL; VLDL | Taurine, an organic acid, is distributed in various animal tissues. | Huxtable RJ. Prog Neurobiol, 1989, 32(6), 471-533. | Animal | Others | FDA Approved | FDA | Marketed | Others | Others | ||||||||||
20 | T0023 | Valethamate bromide | Ediposin; Epidosin; Epidozin; Resitan | 90-22-2 | [Br-].CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | C19H32BrNO2 | 386.37 | Others | Others | Others | Valethamate bromide is an anticholinergic agent that has antispasmodic effects and inhibits glandular secretion. | Köstü B, et al. J Obstet Gynaecol. 2015 Aug 11:1-4. | Others Approved | Turkey | Marketed | Immune system;Digestive system | Gastritis And Gastro-Duodenal Ulcer | ||||||||||||
21 | T0024 | Primidone | NCI-C56360; Primaclone; Mysoline | 125-33-7 | CCC1(C(=O)NCNC1=O)c1ccccc1 | C12H14N2O2 | 218.26 | Membrane transporter/Ion channel; Neuroscience | AChR; GABA Receptor; GluR; Sodium Channel | GABAR; GluR2; nAChR; Sodium Channel | Primidone is an anticonvulsant of the pyrimidinedione class. | Yamakura T, et al. Annu Rev Pharmacol Toxicol. 2001;41:23-51. | FDA Approved | FDA | Marketed | Nervous system | Epilepsy | ||||||||||||
22 | T0025 | Haloperidol | Haldol; Aloperidin; Serenace | 52-86-8 | OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 | C21H23ClFNO2 | 375.87 | GPCR/G Protein; Neuroscience | 5-HT Receptor; Dopamine Receptor | 5-HT; Dopamine | Haloperidol is a highly potent neuroleptic by relieving nervous through the depression of nerve function. In addition, haloperidol has shown about 50-fold efficacy than chlorpromazine, another antipsychotic drug. Haloperidol has some potencies in the treatment of delusions and hallucinations. Its effects are primarily attained through blocking dopamine receptors in the mesocortex and limbic system. | Cai G, et al. Mol Pharmacol. 1999 Nov;56(5):989-96. | FDA Approved | FDA | Marketed | Nervous system | Schizophrenia | ||||||||||||
23 | T0026 | Sulfalene | Sulfalen; AS-18908; Sulfalene(SMPZ); Sulfametopyrazine; Butadiene sulfone; 3-Sulfolene; SMP2 | 152-47-6 | COc1nccnc1NS(=O)(=O)c1ccc(N)cc1 | C11H12N4O3S | 280.3 | Autophagy; Microbiology/virology | Antibacterial; Antibiotic; Autophagy; Parasite | Antibiotic; Bacterial; DHPS; Parasite | Sulfalene, a long-acting sulfonamide antibiotic, is used for the therapy of chronic bronchitis, urinary tract infections, and malaria. | Brumfitt W, Hamilton-Miller JM. J ChemOthers. 1993 Dec;5(6):465-9 | Others Approved | NMPA | Marketed | Respiratory system;Immune system;Infection | Chronic Bronchitis; Urinary Tract Infections And Malaria | ||||||||||||
24 | T0028 | Gamibetal | 4-Amino-3-hydroxybutyric Acid; 3-Hydroxy-GABA | 924-49-2 | NCC(O)CC(=O)O | C4H9NO3 | 119.12 | Microbiology/virology; Proteases/Proteasome | HIV Protease | HIV-1 | 4-Amino-3-Hydroxybutanoic Acid is used as a chiral reagent in the synthesis of antiepileptic and hypotensive drug GABOB and analogues. Also used in the preparation of HIV-1 inhibitors derived from Betulinic Acid (B330250). | Candela M, et al. J Chromatogr A. 2000 Aug 25;890(2):273-80. | |||||||||||||||||
25 | T0029 | Procaine | Novocaine; Vitamin H3; Duracaine; Spinocaine | 59-46-1 | CCN(CC)CCOC(=O)c1ccc(N)cc1 | C13H20N2O2 | 236.32 | Cell Cycle/Checkpoint; DNA Damage/DNA Repair; Chromatin/Epigenetic; Membrane transporter/Ion channel | DNA/RNA Synthesis; Histone Demethylase; Sodium Channel | DNA/RNA Synthesis; Histone Demethylase; Sodium Channel | Procaine is a local anesthetic of the ester type that has a slow onset and a short duration of action. It is mainly used for infiltration anesthesia, peripheral nerve block, and spinal block. | Rigon AR, et al. Gen Pharmacol. 1996, 27(4):647-50. | FDA Approved | FDA | Marketed | Immune system | anesthetic;as an oral entry inhibitor in treatment-experienced HIV patients | ||||||||||||
26 | T0030 | Bupivacaine hydrochloride | Bupivacaine HCl; Vivacaine | 18010-40-7 | Cl.CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C | C18H28N2O·HCl | 324.89 | Membrane transporter/Ion channel | Sodium Channel | Sodium Channel | Bupivacaine Hydrochloride is a long-acting, amide-type local anesthetic. Bupivacaine reversibly binds to specific sodium ion channels in the neuronal membrane, resulting in a decrease in the voltage-dependent membrane permeability to sodium ions and membrane stabilization; inhibition of depolarization and nerve impulse conduction; and a reversible loss of sensation. | Sheets MF, et al. Trends Cardiovasc Med. 2010 Jan;20(1):16-21. | FDA Approved | FDA | Marketed | Nervous system | Anaesthesia; Pain; Postoperative pain | ||||||||||||
27 | T0031 | Ziprasidone hydrochloride monohydrate | CP 88059 | 138982-67-9 | Clc1c(cc2CC(=O)Nc2c1)CCN1CCN(c2nsc3ccccc23)CC1.Cl.O | C21H21ClN4OS·HCl·H2O | 467.12 | GPCR/G Protein; Immunology/Inflammation; Neuroscience | 5-HT Receptor; Adrenergic Receptor; Dopamine Receptor; Histamine Receptor; Norepinephrine | 5-HT Receptor; 5-HT transporter; 5-HT1A; 5-HT1B; 5-HT1D; 5-HT2A; 5-HT2C; 5-HT6; 5-HT7; D1; D2; D3; Dopamine; H1 receptor; norepinephrine transporter (NET); α1A-adrenergic receptor; α2A-adrenergic receptor | Ziprasidone(CP88059) is a united 5-HT (serotonin) and dopamine receptor antagonist which shows potent effects of the antipsychotic activity. | Seeger TF, et al. J Pharmacol Exp Ther. 1995 Oct;275(1):101-13. | FDA Approved | FDA | Marketed | Nervous system | Bipolar disorders; Schizophrenia | ||||||||||||
28 | T0032 | DL-Xylose | (±)-Xylos; Xylose; Hexadecylphosphocholine; (±)-Xylose | 25990-60-7 | OC[C@@H](O)[C@H](O)[C@@H](O)C=O | C5H10O5 | 150.13 | Others | Others | Others | Xylose is a sugar first derived from wood. Xylose is classified as a monosaccharide of the aldopentose type. | Buskas T, et al. Glycobiology. 2006 Aug;16(8):113R-136R. | Plant | Canarium album (Lour.) Rauesch. | Glucosides | FDA Approved | FDA | Marketed | Others | alternative to regular sugar | |||||||||
29 | T0033 | Miltefosine | Hexadecyl phosphocholine; HePC | 58066-85-6 | CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C | C21H46NO4P | 407.58 | Chromatin/Epigenetic; Cytoskeletal Signaling; PI3K/Akt/mTOR signaling; Microbiology/virology; Proteases/Proteasome | Akt; HIV Protease; PKC | Akt; HIV; PKC | Miltefosine is the treatment of visceral and cutaneous leishmaniasis drug , and is proceeding clinical trials for this in several countries. Several medical agents produce some potency against visceral or cutaneous leishmaniasis, however a 2005 survey concluded that miltefosine is the only effective oral treatment for both forms of leishmaniasis. | Uberall F, et al. Y Res, 1991, 51(3), 807-812. | FDA Approved | FDA | Marketed | Immune system | Cancer metastases; Cutaneous leishmaniasis; Leishmaniasis; Visceral leishmaniasis | ||||||||||||
30 | T0034 | Cortisone acetate | Cortisone 21-acetate; NSC 49420 | 50-04-4 | CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C | C23H30O6 | 402.49 | Endocrinology/Hormones; Metabolism | Endogenous Metabolite; Glucocorticoid Receptor | Endogenous Metabolite; Glucocorticoid Receptor | Cortisone Acetate is the acetate salt form of cortisone, a synthetic or semisynthetic analog of the naturally occurring cortisone hormone produced by the adrenal glands with anti-inflammatory and immunomodulating properties. Cortisone acetate diffuses through the cell membrane and binds to nuclear glucocorticoid receptors. The receptor-ligand complex binds to promotor regions of certain genes and initiates RNA transcription. This results in an induction of synthesis of certain anti-inflammatory proteins while inhibiting the synthesis of certain inflammatory mediators. | Grossman R, et al. Ann N Y Acad Sci. 2006, 1071:410-21. | Animal | Terpenoids | FDA Approved | FDA | Marketed | Others | Stenosing Tenosynovitis | ||||||||||
31 | T0035 | Dienestrol | Restrol; Dienoestrol; Dehydrostilbestrol; Cycladiene | 84-17-3 | C\C=C(\C(=C\C)\c1ccc(O)cc1)/c1ccc(O)cc1 | C18H18O2 | 266.34 | Endocrinology/Hormones | Estrogen Receptor/ERR; Estrogen/progestogen Receptor | ER; Estrogen Receptor/ERR | Dienestrol is a synthetic and nonsteroidal estrogen, which is an estrogen receptor agonist. Estrogens can increase a normal clear discharge from the vagina and make the vulva and urethra healthy. | Juriansz RL, et al. Y Res. 1988 Jan 1;48(1):14-8. | FDA Approved | FDA | Marketed | Endocrine system | Aenopausal | ||||||||||||
32 | T0036 | 18β-Glycyrrhetinic acid | Enoxolone; 18β-Glycyrrhetinic acid; Glycyrrhetin | 471-53-4 | CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O | C30H46O4 | 470.68 | Metabolism | Dehydrogenase; Endogenous Metabolite | Dehydrogenase; Endogenous Metabolite | Enoxolone is the major bioactive component of Glycyrrhizae Radix and possesses anti-ulcerative, anti-inflammatory and antiproliferative properties. | Boldt J, et al. Expert Opin PharmacOthers. 2007, 8(13):2135-47. | Plant | Glycyrrhiza uralensis | Terpenoids | Others Approved | PMDA | Marketed | Endocrine system | Addison'S Disease | |||||||||
33 | T0037 | Halazone | Pantocid; Halazon; Cloritines | 80-13-7 | OC(=O)c1ccc(cc1)S(=O)(=O)N(Cl)Cl | C7H5Cl2NO4S | 270.09 | Membrane transporter/Ion channel; Metabolism; Microbiology/virology | Antibacterial; Antibiotic; Carbonic Anhydrase; Sodium Channel | Antibiotic; Bacterial; Carbonic Anhydrase; Sodium Channel | Halazone is fine white powder with an odor of chlorine. It has been widely used to disinfect drinking water. | HACKENBERG HW. Z Gesamte Hyg. 1964 Apr;10:241-51. | Others Approved | NMPA | Marketed | Others | Drinking Water Disinfection | ||||||||||||
34 | T0038 | Doxapram hydrochloride hydrate | Doxapram hydrochloride monohydrate; Doxapram hydrochloride hydrate; Doxapram HCl | 7081-53-0 | O.Cl.CCN1CC(CCN2CCOCC2)C(C1=O)(c1ccccc1)c1ccccc1 | C24H33ClN2O3（C24H30N2O2·ClH·H2O） | 432.99 | Membrane transporter/Ion channel | Potassium Channel | Potassium Channel; TASK-1; TASK-1/TASK-3 heterodimeric; TASK-3 | Doxapram hydrochloride hydrate inhibits TASK-1, TASK-3, TASK-1/TASK-3 heterodimeric channel function with EC50 of 410 nM, 37 μM, 9 μM, respectively. | Cotten JF, et al. Anesth Analg, 2006, 102(3), 779-785. | FDA Approved | FDA | Marketed | Respiratory system | Respiratory Failure | ||||||||||||
35 | T0040 | Quinestrol | W-3566; Ethinylestradiol 3-cyclopentyl ether; EE2CPE | 152-43-2 | C[C@]12CC[C@H]3[C@@H](CCc4cc(OC5CCCC5)ccc34)[C@@H]1CC[C@@]2(O)C#C | C25H32O2 | 364.53 | Endocrinology/Hormones | Estrogen Receptor/ERR; Estrogen/progestogen Receptor | ER; Estrogen Receptor/ERR | Quinestrol is a synthetic estrogen, applied in hormone replacement therapy, and occasionally to use in cancer and prostate cancer treatment. | Shyu C, et al. Toxicol Appl Pharmacol. 2010 Nov 12. | FDA Approved | FDA | Marketed | Cancer | Breast Cancer; Prostate Cancer | ||||||||||||
36 | T0042 | Xylometazoline hydrochloride | Xylometazoline HCl | 1218-35-5 | Cl.Cc1cc(cc(C)c1CC1=NCCN1)C(C)(C)C | C16H24N2·HCl | 280.84 | GPCR/G Protein; Neuroscience | Adrenergic Receptor | Adrenergic Receptor; α1A-adrenergic receptor; α1B-adrenergic receptor; α1D-adrenergic receptor; α2A-adrenergic receptor; α2B-adrenergic receptor; α2C-adrenergic receptor | Xylometazoline Hydrochloride is an α-adrenoceptor agonist usually used as nasal decongestant. | Haenisch B, Fundam Clin Pharmacol, 2010, 24(6), 729-739. | Others Approved | NMPA | Marketed | Immune system | Nasal Congestion And Minor Inflammation Due To Allergies Or Colds. | ||||||||||||
37 | T0043 | Octodrine | 2-Amino-6-methylheptane; 1,5-Dimethylhexylamine; 6-Methyl-2-heptylamine; Octodrine | 543-82-8 | CC(C)CCCC(C)N | C8H19N | 129.24 | GPCR/G Protein; Neuroscience | Dopamine Receptor | Dopamine | 2-Amino-6-methylheptane is a local anesthetic and vasoconstrictor, but mainly as a pharmaceutical intermediate of Octamylamine. | FELLOWS EJ., et al. The pharmacology of 2-amino-6-methylheptane. J Pharmacol Exp Ther. 1947 Aug;90(4):351-8. | Others Approved | Other countries | Marketed | Nervous system | Migraine Headaches | ||||||||||||
38 | T0044 | Oxethazaine | Oxetacaine | 126-27-2 | CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1 | C28H41N3O3 | 467.64 | Membrane transporter/Ion channel; Microbiology/virology | HBV; Sodium Channel | HBV; Sodium Channel | Oxethazaine, a topical anesthetic, is used to prevent acid-induced esophageal pain. | Lee SY, et al. Pharmacol Biochem Behav. 2013 Apr;105:98-104. | Others Approved | PMDA,France,Canada,Turkey | Marketed | Nervous system | anesthetic | ||||||||||||
39 | T0045 | Heptaminol hydrochloride | RP-2831 hydrochloride | 543-15-7 | Cl.CC(N)CCCC(C)(C)O | C8H20ClNO | 181.71 | Others | Others | Others | Heptaminol hydrochloride, a vasoconstrictor, is used in the therapy of hypotension, especially orthostatic hypotension. | GARRETT J. Arch Int Pharmacodyn Ther. 1954 Nov 1;100(1):17-34. | Others Approved | France,Colombia,Thailand | Marketed | Cardiovascular system | Orthostatic Hypotension | ||||||||||||
40 | T0048 | Nikethamide | N,N-Diethylnicotinamide; Corvotone; Corvin; Anacardone | 59-26-7 | CCN(CC)C(=O)c1cnccc1 | C10H14N2O | 178.23 | Membrane transporter/Ion channel; Neuroscience | GABA Receptor | GABAR | Nikethamide is a stimulant which mainly influences the respiratory cycle. Widely known by its former sales name of Coramine, it was used in the mid-twentieth century as a medical countermeasure against tranquilizer overtreatments, before the advent of endotracheal intubation and positive-pressure lung expansion. It is now thought to be of no value for such purposes, and may be dangerous. | ECKENHOFF JE, HAFKENSCHIEL JH. J Pharmacol Exp Ther. 1947 Dec;91(4):362-9. | Others Approved | NMPA,France | Marketed | Cardiovascular system;Nervous system | Hypertension; Cardiovascular Pathologies And Epilepsy | ||||||||||||
41 | T0049 | Azlocillin sodium salt | Azlocillin sodium; Azlocillin sodium salt; Sodium azlocillin | 37091-65-9 | [Na+].CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2[C@H]1C([O-])=O | C20H22N5NaO6S | 483.47 | Microbiology/virology | Antibacterial; Antibiotic; Parasite | Antibiotic; Bacterial; Parasite; PBPs | Azlocillin, an acylampicillin, is a broad-spectrum antibiotics | Stewart D, et al. Antimicrob Agents Chemother, 1977, 11(5), 865-870. | FDA Approved | FDA | Marketed | Immune system;Infection | Ccylampicillin Antibiotic | ||||||||||||
42 | T0050 | Ampyrone | 4-Aminoantipyrine; Ampyrone; NSC 60242; Solnapyrin-A; Minoazophene; Aminoantipyrin | 83-07-8 | Cn1n(c(=O)c(N)c1C)c1ccccc1 | C11H13N3O | 203.24 | Immunology/Inflammation; Neuroscience; Metabolism | COX; Drug Metabolite | COX; Drug Metabolite | 4-Aminoantipyrine is a reagent for glucose determination in the presence of peroxidase and phenol. | Vinagre AM, et al. Braz J Med Biol Res. 2016, 49(3). | Others Approved | PMDA | Marketed | Immune system | Pain And Fever | ||||||||||||
43 | T0051 | Urethane | Ethyl carbamate; Ethylurethane; Carbamic acid ethyl ester | 51-79-6 | CCOC(=O)N | C3H7NO2 | 89.09 | Membrane transporter/Ion channel; Neuroscience; Microbiology/virology | AChR; Antibacterial; Chloride channel; GABA Receptor; GluR; NMDAR; Parasite | AMPA; Bacterial; GABAR; Glycine receptor; NMDA receptor; Parasite; α4β2 nAChR | Urethane was an antineoplastic agent .Now is used for other medicinal purposes. | Barth AM, et al. J Neurosci. 31(3):851-860. | Microorganism | Others | Others Approved | PMDA | Marketed | Cancer;Nervous system | Multiple myeloma;Anxiety; Sleepless | ||||||||||
44 | T0053 | Hydroxyzine Pamoate | Hydroxyzine embonate; Bobsule; Equipose | 10246-75-0 | OCCOCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1.OC(=O)c1cc2ccccc2c(Cc2c(O)c(cc3ccccc23)C(=O)O)c1O | C44H43ClN2O8 | 763.27 | GPCR/G Protein; Immunology/Inflammation; Neuroscience | Histamine Receptor | H1 receptor; Histamine Receptor | Hydroxyzine pamoate is a histamine H1 receptor antagonist that is effective in the treatment of chronic urticaria, dermatitis, and histamine-mediated pruritus. Unlike its major metabolite CETIRIZINE, it does cause drowsiness. It is also effective as an antiemetic, for relief of anxiety and tension, and as a sedative. | Spahr L, et al. Am J Gastroenterol. 2007 Apr;102(4):744-53. | FDA Approved | FDA | Marketed | Nervous system | Anxiety; Tension | ||||||||||||
45 | T0054 | Disulfiram | TETD; Tetraethylthiuram disulfide; NSC 190940 | 97-77-8 | CCN(CC)C(=S)SSC(=S)N(CC)CC | C10H20N2S4 | 296.54 | Apoptosis; Immunology/Inflammation; Metabolism | Dehydrogenase; Interleukin; Pyroptosis | ALDH; ALDH1; DBH; Interleukin; Pyroptosis | Disulfiram is a carbamate derivative used as an alcohol deterrent. It is a relatively nontoxic substance when administered alone, but markedly alters the intermediary metabolism of alcohol. When alcohol is ingested after administration of disulfiram, blood acetaldehyde concentrations are increased, followed by flushing, systemic vasodilation, respiratory difficulties, nausea, hypotension, and other symptoms (acetaldehyde syndrome). It acts by inhibiting aldehyde dehydrogenase. | Chen D, et al. Cancer Res, 2006, 66(21), 10425-10433. | FDA Approved | FDA | Marketed | Others | alcohol deterrent | ||||||||||||
46 | T0055 | Glafenine | Glafenin | 3820-67-5 | OCC(O)COC(=O)C1=CC=CC=C1NC1=C2C=CC(Cl)=CC2=NC=C1 | C19H17ClN2O4 | 372.8 | Immunology/Inflammation; Neuroscience | COX | COX | Glafenine, a non-narcotic analgesic agent, is a non-steroidal anti-inflammatory drug (NSAID), and widely used for the therapy of pains of various origins. | Kleinknecht D, et al. Clin Nephrol. 1986 Jun;25(6):275-81. | Others Approved | France,Taiwan China | Marketed | Immune system | Inflammatory | ||||||||||||
47 | T0056 | Oxeladin citrate | 52432-72-1 | CCC(CC)(C(=O)OCCOCCN(CC)CC)c1ccccc1.O=C(O)C(O)(CC(=O)O)CC(=O)O | C26H41NO10 | 527.6 | Others | Others | Others | Oxeladin is a highly potent and effective cough suppressant, which can treat all types of cough of various etiologies. It is not related to opium or its derivatives, so treatment with oxeladin is no risk of addiction. And it has none of the side effects (such as hypnosis, respiratory depression, tolerance, constipation and analgesia) which are present when common antitussives, such as codeine and its derivatives, are used. It can used at every age, as well as in patients with heart disease, since it is high level of safety and a great selectivity to act on the bulbar centre of cough. | Knopp C, Korsatko W. Pharmazie. 1982 Jan;37(1):76-7. | Others Approved | France,Taiwan China | Marketed | Immune system | Cough | |||||||||||||
48 | T0057 | Famprofazone | Famprofazon | 22881-35-2 | CC(C)C1=C(CN(C)C(C)CC2=CC=CC=C2)N(C)N(C1=O)C1=CC=CC=C1 | C24H31N3O | 377.52 | Immunology/Inflammation; Neuroscience | COX | COX-1; COX-2 | Famprofazone (Gewodin, Gewolen) has analgesic, anti-inflammatory, and antipyretic effects.It is a non-steroidal anti-inflammatory agent (NSAID) of the pyrazolone series. | Chan KH, et al. J Anal Toxicol. 2010 Jul-Aug;34(6):347-53. | Others Approved | Other countries | Marketed | Immune system | Inflammation | ||||||||||||
49 | T0058 | 2-Ethoxybenzamide | Ethenzamide; Anovigam | 938-73-8 | CCOc1ccccc1C(=O)N | C9H11NO2 | 165.19 | Immunology/Inflammation; Neuroscience | COX | COX | Anovigam is white or almost-white crystalline powder. Almost odorless. Tasteless. It is widely used as an antipyretic anodyne. | Darias V, et al. Arch Pharm (Weinheim). 1992 Feb;325(2):83-7. | Others Approved | NMPA | Marketed | Nervous system | Pain | ||||||||||||
50 | T0059 | Diphenylpyraline hydrochloride | 4-Diphenylmethoxy-1-methylpiperidine hydrochloride | 132-18-3 | Cl.CN1CCC(CC1)OC(c1ccccc1)c1ccccc1 | C19H23NO·HCl | 317.85 | GPCR/G Protein; Immunology/Inflammation; Neuroscience | Histamine Receptor | H1 receptor; Histamine Receptor | Diphenylpyraline Hcl is used in the treatment of Parkinsonism.It is a first-generation antihistamine with anticholinergic effects, functions as a dopamine reuptake inhibitor. | Lapa GB, et al. Eur J Pharmacol. 2005, 506(3):237-40. | FDA Approved | FDA | Marketed | Immune system | Allergy | ||||||||||||
51 | T0060 | Streptomycin sulfate | Estreptomicina; Phytomycin; Plantomycin | 3810-74-0 | OS(O)(=O)=O.OS(O)(=O)=O.OS(O)(=O)=O.CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]2NC(N)=N)O[C@@H](C)[C@]1(O)C=O.CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]2NC(N)=N)O[C@@H](C)[C@]1(O)C=O | 2C21H39N7O12·3H2SO4 | 1457.38 | Microbiology/virology | Antibacterial; Antibiotic; ribosome | 30S ribosome; Antibiotic; Bacterial | Streptomycin sulfate is a sulfate salt of streptomycin that is a protein synthesis inhibitor. | McEnroe AS, et al. Correlation between cytochrome aa3 concentrations and streptomycin accumulation in Bacillus subtilis. Antimicrob Agents Chemother. 1984 Oct;26(4):507-12. | Microorganism | Others | FDA Approved | FDA | Marketed | Immune system;Infection | Antibiotic(Infective Endocarditis; Tuberculosis; Plague; Tularemia) | ||||||||||
52 | T0061 | Clofibric acid | Chlorofibrinic acid | 882-09-7 | C(=O)(C(C)(C)Oc1ccc(cc1)Cl)O | C10H11ClO3 | 214.65 | DNA Damage/DNA Repair; Metabolism | Drug Metabolite; PPAR | Drug Metabolite; PPAR | Clofibric acid is an antilipemic agent that is the biologically active metabolite of CLOFIBRATE. | Muerhoff AS, et al. J Biol Chem, 1992, 267(27), 19051-19053. | FDA Approved | FDA | Marketed | Cardiovascular system | Hyperlipoproteinemia Type Iii | ||||||||||||
53 | T0062 | Folic acid | Vitamin M; Vitamin B9; Folacin; Pteroylglutamic acid; Folate | 59-30-3 | Nc1nc(=O)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2[nH]1 | C19H19N7O6 | 441.4 | Cell Cycle/Checkpoint; DNA Damage/DNA Repair; Metabolism | DNA/RNA Synthesis; Endogenous Metabolite; Vitamin | DNA/RNA Synthesis; Endogenous Metabolite; VB9 | Folic acid(Vitamin M; Vitamin B9) is indispensable for the production and maintenance of new cells, for DNA/RNA synthesis. | Price RJ, et al. Nutr Res. 2015, 35(6):532-544. | Plant | Mangifera indica | Others | FDA Approved | FDA | Marketed | Nervous system | Neural Tube Defects | |||||||||
54 | T0063 | L-Isoleucine | isoleucine; L-Isoleucine; Ile | 73-32-5 | C(=O)([C@@H](N)[C@H](CC)C)O | C6H13NO2 | 131.17 | Metabolism | Amino Acids and Derivatives; Endogenous Metabolite | Amino Acids and Derivatives; Endogenous Metabolite | Isoleucine is an essential branched-chain aliphatic amino acid found in many proteins. It is an isomer of LEUCINE. It is important in hemoglobin synthesis and regulation of blood sugar and energy levels. | Korman SH, et al. Clin Chem. 2005 Mar;51(3):610-7. | Plant; Animal | Fabaceae | Others | FDA Approved | FDA | Marketed | Metabolism | Liver Disease | |||||||||
55 | T0064 | Adenine | Vitamin B4; 6-Aminopurine | 73-24-5 | Nc1ncnc2c1[nH]cn2 | C5H5N5 | 135.13 | Cell Cycle/Checkpoint; DNA Damage/DNA Repair; Metabolism; Neuroscience | AChR; DNA/RNA Synthesis; Endogenous Metabolite | Adenine phosphoribosyltransferase; DNA/RNA Synthesis; Endogenous Metabolite | Adenine, a purine derivative, is a nucleobase with various roles in biochemistry including cellular respiration, in the form of both the energy-rich ATP and NAD and FAD, and protein synthesis, as a chemical component of DNA and RNA. | Barrett C, et al. Assay Drug Dev Technol. 2006 Dec;4(6):661-9. | Organism | Others | FDA Approved | FDA | Marketed | Others | Dietary Shortage Or Imbalance | ||||||||||
56 | T0065 | Acetaminophen | 4'-Hydroxyacetanilide; 4-Acetamidophenol; APAP; Paracetamol | 103-90-2 | CC(=O)Nc1ccc(O)cc1 | C8H9NO2 | 151.16 | Chromatin/Epigenetic; Immunology/Inflammation; Neuroscience; Metabolism | COX; Endogenous Metabolite; Histone Acetyltransferase | COX; COX-1; COX-2; Endogenous Metabolite; Histone Acetyltransferase | Analgesic antipyretic derivative of acetanilide. Acetaminophen has weak anti-inflammatory properties and is used as a common analgesic, but may cause liver, blood cell, and kidney damage. | Hinz B, et al. FASEB J, 2008, 22(2), 383-390. | Animal | Others | FDA Approved | FDA | Marketed | Immune system | Fever; Pain | ||||||||||
57 | T0066 | Dichlorophen | DDM; Dichlorophene | 97-23-4 | Oc1c(Cc2c(O)ccc(Cl)c2)cc(Cl)cc1 | C13H10Cl2O2 | 269.13 | Microbiology/virology | Antibacterial; Antifungal; Parasite | Bacterial; Fungal; Parasite | Dichlorophen is a nontoxic laxative vermicide of chlorinated phenol compound. Dichlorophen is used as a veterinary fungicide, anthelmintic, and anti-protozoan, as well as an ingredient in antimicrobial soaps and shampoos. This agent probably acts by increasing the clearing of intestinal contents, thereby eradicating tapeworm infections from the intestines. | Langrand J, et al. Clin Toxicol (Phila). 2013 Mar;51(3):178-81. | |||||||||||||||||
58 | T0067 | Nicotinic acid N-oxide | Oxiniacic Acid; Nicotinic acid 1-oxide | 2398-81-4 | OC(=O)c1c[n+]([O-])ccc1 | C6H5NO3 | 139.11 | Others | Others | Others | Oxiniacic Acid is a nicotinic acid derivative, used to treat hyperlipoidemia. | Atac A, et al. Spectrochim Acta A Mol Biomol Spectrosc. 2012 Jan;85(1):145-54. | Others Approved | Hong Kong China,Taiwan China | Marketed | Cardiovascular system | Hyperlipidemia | ||||||||||||
59 | T0068 | Fluphenazine dihydrochloride | Fluphenazine hydrochloride; Fluphenazine dihydrochloride; Prolixin | 146-56-5 | Cl.OCCN1CCN(CCCN2c3ccccc3Sc3c2cc(cc3)C(F)(F)F)CC1.Cl | C22H28Cl2F3N3OS | 510.44 | GPCR/G Protein; Neuroscience | Dopamine Receptor | Dopamine | Fluphenazine dihydrochloride is an inhibitor of phenothiazine-class D1DR and D2DR; In studies, Fluphenazine can be used to probe the effects and metabolic process of this commonly used dopamine antagonist. | Qin ZH, Weiss B. Eur J Pharmacol. 1994 Sep 15;269(1):25-33. | FDA Approved | FDA | Marketed | Nervous system | psychoses | ||||||||||||
60 | T0069 | Uracil | 66-22-8 | O=c1[nH]ccc(=O)[nH]1 | C4H4N2O2 | 112.09 | Metabolism | Endogenous Metabolite | Endogenous Metabolite; RNA | Uracil is a common naturally occurring pyrimidine found in RNA, it base pairs with adenine and is replaced by thymine in DNA. Methylation of uracil produces thymine. Uracil's use in the body is to help carry out the synthesis of many enzymes necessary for cell function through bonding with riboses and phosphates. Uracil serves as allosteric regulator and coenzyme for many important biochemical reactions. | Imming P, et al. Nat Rev Drug Discov. 2006 Oct; 5(10):821-34. | Plant | Heracleum | Alkaloids | Others Approved | NMPA | Marketed | Cancer;Digestive system | Cancer; Gastrointestinal Motility Disorders | ||||||||||
61 | T0070 | Pentoxifylline | Oxpentifylline; PTX; BL-191 | 6493-05-6 | Cn1cnc2c1c(=O)n(CCCCC(=O)C)c(=O)n2C | C13H18N4O3 | 278.31 | Autophagy; GPCR/G Protein; Neuroscience; Metabolism; Microbiology/virology; Proteases/Proteasome | Adenosine Receptor; Autophagy; HIV Protease; PDE | A2; Autophagy; HIV; PDE; phosphodiesterase | Pentoxifylline modulates immunologic activity by stimulating cytokine production. Pentoxifylline is a methylxanthine derivative that inhibits phosphodiesterase and affects blood rheology. It also inhibits platelet aggregation and improves blood flow by increasing erythrocyte and leukocyte flexibility. | Daly JW, et al. Prog Clin Biol Res. 1987;230:41-63. | Plant | Theobroma cacao | Others | FDA Approved | FDA | Marketed | Immune system | Intermittent claudication; Tinnitus | |||||||||
62 | T0072 | Adiphenine hydrochloride | Adiphenine HCl; Patrovina; Sentiv; Spasnil | 50-42-0 | O=C(OCCN(CC)CC)C(C1=CC=CC=C1)C2=CC=CC=C2.[H]Cl | C20H25NO2·HCl | 347.88 | Neuroscience | AChR | nAChR; Nicotinic Receptor | Adiphenine hydrochloride, a nicotinic receptor inhibitor, can be used as an antispasmodic drug. | Spitzmaul G, et al. Br J Pharmacol. 2009 Jul;157(5):804-17. | |||||||||||||||||
63 | T0074 | Chlorprothixene | Taractan; Truxal; Clorprotixeno | 113-59-7 | CN(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12 | C18H18ClNS | 315.86 | GPCR/G Protein; Immunology/Inflammation; Neuroscience; Microbiology/virology | 5-HT Receptor; Antibacterial; Dopamine Receptor; Histamine Receptor | 5-HT6; 5-HT7; Bacterial; D2; D3; Dopamine; H1 receptor; Histamine Receptor | Chlorprothixene is a typical antipsychotic drug of the thioxanthene class, which was the first of the series to be synthesized. | von Coburg Y, et al. Bioorg Med Chem Lett. 2009, 19 (2), 538-542. | FDA Approved | FDA | Marketed | Nervous system | Schizophrenia | ||||||||||||
64 | T0075 | Nicorandil | SG-75 | 65141-46-0 | [O-][N+](=O)OCCNC(=O)c1cnccc1 | C8H9N3O4 | 211.18 | Membrane transporter/Ion channel | Potassium Channel | Potassium Channel | Nicorandil(Ikorel) acts by relaxing the smooth muscle of the blood vessels, especially those of the venous system. It undertakes this through two methods. Firstly, by activating potassium channels, and secondly by donating nitric oxide to activate the enzyme guanylate cyclase. Guanylate cyclase causes activation of cGMP leading to both arterial and venous vasodilatation by de-phosphorylation of the myosin light chain. | Sato T, et al. J Am Coll Cardiol, 2000, 35(2), 514-518. | Others Approved | PMDA | Marketed | Cardiovascular system | Angina | ||||||||||||
65 | T0076 | Paliperidone | 9-hydroxyrisperidone | 144598-75-4 | Cc1c(CCN2CCC(CC2)c2noc3c2ccc(F)c3)c(=O)n2CCCC(O)c2n1 | C23H27FN4O3 | 426.48 | GPCR/G Protein; Immunology/Inflammation; Neuroscience | 5-HT Receptor; Adrenergic Receptor; Dopamine Receptor; Histamine Receptor | 5-HT; 5-HT Receptor; Adrenergic Receptor; Dopamine; H1 receptor; β-adrenergic receptor | Paliperidone(Invega) is used as an atypical antipsychotic. It applies to the acute and maintenance treatment of schizophrenia. Chemically, paliperidone is the primary active metabolite of the older atypical antipsychotic risperidone. | Zhu HJ, et al. Neuropsychopharmacology, 2007, 32(4), 757-764. | Human | Others | FDA Approved | FDA | Marketed | Nervous system | Aggression; Agitation; Schizoaffective disorder; Schizophrenia | ||||||||||
66 | T0077 | Dantrolene sodium | Dantrolene sodium salt; Dantrolene sodium; Lapatinib ditosylate monohydrate | 14663-23-1 | [Na+].[O-][N+](=O)c1ccc(cc1)-c1ccc(\C=N\N2CC(=O)[N-]C2=O)o1 | C14H9N4NaO5 | 336.23 | Membrane transporter/Ion channel; Metabolism | Calcium Channel | Calcium Channel; Ryanodine receptor 1 | Dantrolene is a skeletal muscle relaxant and can interfere with excitation-contraction coupling in the muscle fiber. It is used for the treatment of spasticity and other neuromuscular abnormalities. Its mechanism of action is may not central, but dantrolene is usually grouped with the central muscle relaxants. | Paul-Pletzer K, et al. J Biol Chem. 2002 Sep 20;277(38):34918-23. | FDA Approved | FDA | Marketed | Immune system | Fever | ||||||||||||
67 | T0078 | Lapatinib | GW572016; GSK572016 | 231277-92-2 | CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 | C29H26ClFN4O4S | 581.06 | Angiogenesis; JAK/STAT signaling; Tyrosine Kinase/Adaptors; Apoptosis; Autophagy | Autophagy; EGFR; Ferroptosis | Autophagy; EGFR; Ferroptosis; HER2/ErbB2 | Lapatinib is a dual inhibitor of Lapatinib is a dual ErbB2/EGFR (IC50: 9.2/10.8 nM) inhibitor | Rusnak DW, et al. The effects of the novel, reversible epidermal growth factor receptor/ErbB-2 tyrosine kinase inhibitor, GW2016, on the growth of human normal and tumor-derived cell lines in vitro and in vivo. Mol Cancer Ther. 2001 Dec;1(2):85-94 | FDA Approved | FDA | Marketed | Cancer | Breast Cancer | ||||||||||||
68 | T0080 | Trapidil | AR-12008; Rocornal; Trapymin; Avantrin; Trapymine | 15421-84-8 | CCN(CC)c1cc(C)nc2ncnn12 | C10H15N5 | 205.26 | Angiogenesis; Tyrosine Kinase/Adaptors; Metabolism | PDE; PDGFR | PDE; PDGFR | Trapidil is a coronary vasodilator agent. It was originally developed as a vasodilator and anti-platelet agent and has been used to treat patients with ischemic coronary heart, liver, and kidney disease. | Maresta A, et al. Circulation. 1994, 90(6):2710-5. | Others Approved | PMDA | Marketed | Cardiovascular system | Coronary Heart Disease; Stenocardia | ||||||||||||
69 | T0081 | Lafutidine | FRG-8813 | 118288-08-7 | O=C(CS(=O)Cc1ccco1)NC\C=C/COc1cc(CN2CCCCC2)ccn1 | C22H29N3O4S | 431.55 | GPCR/G Protein; Immunology/Inflammation; Neuroscience | 5-HT Receptor; Histamine Receptor | Histamine Receptor; HT | Lafutidine is a newly developed histamine H(2)-receptor antagonist, which can inhibit gastric acid secretion. | Kim EH, et al. Dig Dis Sci. 2014 Dec 23. | Others Approved | PMDA | Marketed | Inflammation | Gastric ulcer; Gastritis; Peptic ulcer; Reflux oesophagitis | ||||||||||||
70 | T0082 | Domperidone | R33812 | 57808-66-9 | Clc1cc2c(cc1)n(C1CCN(CCCn3c(=O)[nH]c4ccccc34)CC1)c(=O)[nH]2 | C22H24ClN5O2 | 425.92 | GPCR/G Protein; Neuroscience | Dopamine Receptor | D2; D3; Dopamine | Domperidone(Motilium) is a dopamine blocker and an antidopaminergic reagent. It blocks the action of. It has strong affinities for the D2 and D3 dopamine receptors, which are found in the chemoreceptor trigger zone, located just outside the blood brain barrier, which - among others - regulates nausea and vomiting (area postrema on the floor of the fourth ventricle and rhomboid fossa). | Miles ED, et al. J Agric Food Chem,2011, 59(17), 9691-9699. | Others Approved | PMDA | Marketed | Cardiovascular system;Digestive system | Dyspepsia; Heartburn; Epigastric Pain; Nausea And Vomiting | ||||||||||||
71 | T0083 | Eplerenone | Epoxymexrenone; CGP 30083; SC-66110 | 107724-20-9 | O=C1CC[C@@]2(C)C(=C1)C[C@@H](C(=O)OC)[C@@H]1[C@]32O[C@@H]3C[C@@]2(C)[C@H]1CC[C@@]12OC(=O)CC1 | C24H30O6 | 414.49 | Endocrinology/Hormones | Glucocorticoid Receptor | Mineralocorticoid Receptor | Eplerenone is an aldosterone receptor antagonist and potassium-sparing diuretic used in the therapy of hypertension. Eplerenone therapy has been associated with transient elevations in serum aminotransferase levels, but has yet to be linked to cases of clinically apparent drug induced liver disease. | Kobayashi N, et al. Hypertension, 2005, 45(4), 538-544. | FDA Approved | FDA | Marketed | Metabolism | Heart failure; Hypertension | ||||||||||||
72 | T0084 | Moclobemide | Ro111163 | 71320-77-9 | Clc1ccc(cc1)C(=O)NCCN1CCOCC1 | C13H17ClN2O2 | 268.74 | Neuroscience | MAO; monoamine oxidase | MAO-A (5-HT); Monoamine Oxidase | Moclobemide is a reversible inhibitor of monoamine oxidase type A; (RIMA); (see MONOAMINE OXIDASE INHIBITORS) that has antidepressive properties. | Da Prada M, et al. J Pharmacol Exp Ther, 1989, 248(1), 400-414. | Others Approved | EMA | Marketed | Nervous system | Major Depressive Disorder | ||||||||||||
73 | T0085 | Entecavir monohydrate | Entecavir hydrate; BMS-200475; Entecavir monohydrate; SQ 34676 | 209216-23-9 | O.Nc1nc(=O)c2ncn([C@H]3C[C@H](O)[C@@H](CO)C3=C)c2[nH]1 | C12H15N5O3·H2O | 295.3 | Microbiology/virology | HBV | HBV; HBV( HepG2 cell) | Entecavir is a selective inhibitor of the replication of the hepatitis B virus (HBV). It, a new deoxyguanine nucleoside analog. | Levine S, et al. Antimicrob Agents Chemother, 2002, 46(8), 2525-2532. | FDA Approved | FDA | Marketed | Immune system;Infection | Hepatitis B | ||||||||||||
74 | T0086 | Galanthamine hydrobromide | Galanthamine HBr; Galantamine hydrobromide; Galanthamine hydrobromide | 1953-04-4 | CN1CC[C@@]23C=C[C@@H](C[C@@H]2Oc2c(ccc(c32)C1)OC)O.Br | C17H21NO3·HBr | 368.27 | Neuroscience | AChE; AChR | AChE; nAChR | Galanthamine hydrobromide, a long-acting and centrally active AChE inhibitor (IC50:410 nM), is an allosteric potentiator at neuronal nicotinic ACh receptors. | Thomsen T, et al. Eur J Clin Chem Clin Biochem, 1991, 29(8), 487-492. | Plant | Lycoris radiata | Alkaloids | FDA Approved | FDA | Marketed | Nervous system | Alzheimer's disease | |||||||||
75 | T0087 | Sulfacetamide sodium monohydrate | Sulfacetamide sodium salt hydrate; Sulfacetamide sodium monohydrate; Sulfacetamide sodium | 6209-17-2 | O.[Na+].CC(=O)[N-]S(=O)(=O)c1ccc(N)cc1 | C8H9N2NaO3S·H2O | 254.2 | Autophagy; Microbiology/virology | Antibacterial; Antibiotic; Autophagy | Antibiotic; Bacterial; DHPS | Sulfacetamide sodium monohydrate is a sulfonamide antibiotic. It has been investigated for the treatment of rosacea and pityriasis versicolor. | Prabhu V, et al. Phytochemistry. 1997, 45(1):23-7. | FDA Approved | FDA | Marketed | Immune system | Inflammation | ||||||||||||
76 | T0088 | Urapidil hydrochloride | Urapidil HCl | 64887-14-5 | Cl.COC1=CC=CC=C1N1CCN(CCCNC2=CC(=O)N(C)C(=O)N2C)CC1 | C20H29N5O3·HCl | 423.94 | GPCR/G Protein; Neuroscience | 5-HT Receptor; Adrenergic Receptor | 5-HT; 5-HT Receptor; Adrenergic Receptor; α-adrenergic receptor | Urapidil hydrochloride is 5-HT1A receptor agonist and an α1-adrenoceptor antagonist. | Luchini L, et al. Minerva Anestesiol. 1991 Sep;57(9):702-3. | Others Approved | PMDA | Marketed | Cardiovascular system | Hypertensive | ||||||||||||
77 | T0089 | Cetirizine dihydrochloride | P071; Cetirizine DiHCl; UCB P071 | 83881-52-1 | Cl.Cl.OC(=O)COCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1 | C21H27Cl3N2O3 | 461.81 | GPCR/G Protein; Immunology/Inflammation; Neuroscience | Histamine Receptor | H1 receptor; Histamine Receptor | Cetirizine dihydrochloride is an effective second-generation histamine H1 antagonist that is potent in the therapy of allergic rhinitis, confirmed urticaria, and pollen-induced asthma. Unlike other conventional antihistamines, it does not cause side effects of drowsiness or anticholinergic. | Christophe B, et al. Eur J Pharmacol. 2003 May 30;470(1-2):87-94. | FDA Approved | FDA | Marketed | Immune system | Hypersensitivity | ||||||||||||
78 | T0090 | Moroxydine hydrochloride | ABOB hydrochloride; Moroxydine HCl | 3160-91-6 | Cl.NC(=N)NC(=N)N1CCOCC1 | C6H13N5O·HCl | 207.66 | Immunology/Inflammation; Microbiology/virology | Antiviral; Influenza Virus | DNA viruses; Influenza Virus; RNA viruses | Moroxydine hydrochloride is a synthetic antiviral drug chemically belonging to the series of the heterocyclic biguanidines. It has antiviral activity and is helpful in the prevention and treatment of influenza. | Sheppard S. Acta Derm Venereol Suppl (Stockh). 1994;183:1-9. | Others Approved | NMPA | Marketed | Immune system;Infection | Viral Infection | ||||||||||||
79 | T0091 | Alfuzosin hydrochloride | SL 77499-10; Alfuzosin HCl | 81403-68-1 | Cl.COc1c(OC)cc2c(N)nc(nc2c1)N(C)CCCNC(=O)C1CCCO1 | C19H27N5O4·HCl | 425.91 | GPCR/G Protein; Neuroscience | Adrenergic Receptor | Adrenergic Receptor; α-adrenergic receptor | Alfuzosin hydrochloride is an α1 adrenergic receptor antagonist. It applies to treat benign prostatic hyperplasia (BPH). | Lacerda AE, et al. J Pharmacol Exp Ther,2008, 324(2), 427-433. | FDA Approved | FDA | Marketed | Urinary system | Benign prostatic hyperplasia; Urination disorders | ||||||||||||
80 | T0092 | Antazoline hydrochloride | Phenazoline hydrochloride; Antazoline HCl; Phenazocine HCl | 2508-72-7 | Cl.C(N(Cc1ccccc1)c1ccccc1)C1=NCCN1 | C17H19N3·HCl | 301.82 | GPCR/G Protein; Immunology/Inflammation; Neuroscience | Histamine Receptor | H1 receptor; Histamine Receptor | Antazoline hydrochloride, a first-generation antihistamine, can bind to the histamine H1 receptor and block the action of endogenous histamine. | Milhaud D, et al. Neuroscience, 2003, 120(2), 475-484. | FDA Approved | FDA | Marketed | Immune system | Allergy | ||||||||||||
81 | T0093 | Sorafenib tosylate | Bay 43-9006 | 475207-59-1 | Cc1ccc(cc1)S(O)(=O)=O.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 | C21H16ClF3N4O3·C7H8O3S | 637.03 | Angiogenesis; Tyrosine Kinase/Adaptors; Apoptosis; Autophagy; MAPK | Apoptosis; Autophagy; c-Kit; Ferroptosis; FLT; PDGFR; Raf; VEGFR | Apoptosis; Autophagy; B-Raf; B-Raf (V599E); c-Kit; Ferroptosis; FLT3; mPDGFRβ; PDGFRβ; Raf; Raf-1; VEGFR; VEGFR2/Flk1 | Sorafenib is a potent multikinase inhibitor (IC50s: 6/20/22 nM for Raf-1/VEGFR-3/B-Raf). | Wilhelm SM, et al. BAY 43-9006 exhibits broad spectrum oral antitumor activity and targets the RAF/MEK/ERK pathway and receptor tyrosine kinases involved in tumor progression and angiogenesis. Cancer Res. 2004 Oct 1;64(19):7099-109. | FDA Approved | FDA | Marketed | Cancer | Liver Cancer; Renal cell carcinoma; Thyroid Cancer | ||||||||||||
82 | T0094 | Budesonide | Pulmicort; Rhinocort; Entocort | 51333-22-3 | CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO | C25H34O6 | 430.54 | Endocrinology/Hormones | Glucocorticoid Receptor | Glucocorticoid Receptor | Budesonide, an anti-inflammatory corticosteroid, has shown the effective glucocorticoid activitie and few mineralocorticoid activities. According to reports, Budesonide has extensively inhibitory effects against multiple cells types and mediators referred to allergic and nonallergic-mediated inflammatory. What's more, the anti-inflammatory action of budesonide has been revealed to contribute to the effectiveness of asthma. | Stellato C, et al. J Immunol,1999, 163(10), 5624-5632. | FDA Approved | FDA | Marketed | Respiratory system | Asthma | ||||||||||||
83 | T0095 | Bendamustine hydrochloride | EP-3101; SDX-105; Bendamustine HCl; SDX-105 (Cytostasane) HCl | 3543-75-7 | Cl.Cn1c(CCCC(=O)O)nc2c1ccc(c2)N(CCCl)CCCl | C16H21Cl2N3O2·HCl | 394.72 | Apoptosis; Cell Cycle/Checkpoint; DNA Damage/DNA Repair | Apoptosis; DNA Alkylator/Crosslinker; DNA/RNA Synthesis | Apoptosis; DNA Alkylator/Crosslinker; DNA synthesis | Bendamustine hydrochloride (IC50 of 50 μM) is an alkylating agent associated with DNA damage. | Leoni LM, et al. Clin Cancer Res. 2008, 14(1), 309-317. | FDA Approved | FDA | Marketed | Cancer | Breast Cancer; Cancer; Chronic lymphocytic leukaemia; Hodgkin's disease; Mantle-cell lymphoma; Multiple myeloma; Non-Hodgkin's lymphoma | ||||||||||||
84 | T0097 | MRT67307 | MRT67307 HCl | 1190378-57-4 | O=C(NCCCNc1nc(Nc2cccc(CN3CCOCC3)c2)ncc1C1CC1)C1CCC1 | C26H36N6O2 | 464.62 | Autophagy; NF-κB | Autophagy; IκB/IKK | Autophagy; IKK; IKKϵ; TBK1; ULK; ULK1; ULK2 | Through its effects on ULK1 and ULK2, MRT67307 blocks autophagy. MRT67307 prevents the phosphorylation of IRF3 and the production of IFN-β and increases toll-like receptor-induced IL-10 and IL-1ra secretion in macrophages. MRT67307 is a kinase inhibitor that has been shown to inhibit TBK1, MARK1-4, IKKε, and NUAK1 (IC50 values are 19, 27-52, 160, and 230 nM, respectively), the salt-inducible kinases (SIKs; IC50s =250, 67, and 430 nM for SIK1, SIK2, and SIK3, respectively) and ULK1 and ULK2 (IC50s = 45 and 38 nM, respectively). | Clark K, et al. Biochem J. 2011, 434(1), 93-104. | |||||||||||||||||
85 | T0097L | Pazopanib | GW786034 | 444731-52-6 | CN(c1cc2nn(C)c(C)c2cc1)c1nc(Nc2cc(c(C)cc2)S(=O)(=O)N)ncc1 | C21H23N7O2S | 437.52 | Angiogenesis; Tyrosine Kinase/Adaptors; Autophagy | Autophagy; c-Kit; FGFR; PDGFR; VEGFR | Autophagy; c-Kit; FGFR; PDGFR; VEGFR; VEGFR1; VEGFR2; VEGFR3 | Pazopanib, a small molecule inhibitor, inhibits multiple protein tyrosine kinases with potential antineoplastic activity. Pazopanib selectively inhibits VEGFR-1, -2 and -3, c-kit and PDGF-R, which may result in inhibition of angiogenesis in tumors in which these receptors are upregulated. | Harris PA, et al. J Med Chem. 2008, 51(15), 4632-4640. | FDA Approved | FDA | Marketed | Cancer | Renal cell carcinoma; Sarcoma | ||||||||||||
86 | T0098 | Ipratropium bromide monohydrate | Ipratropium bromide hydrate | 66985-17-9 | O.[Br-].CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 | C20H32BrNO4 | 430.38 | Neuroscience | AChR | mAChR | Ipratropium bromide is a muscarinic antagonist structurally related to ATROPINE but often considered safer and more effective for inhalation use. It is used for various bronchial disorders, in rhinitis, and as an antiarrhythmic. | Wellington K. Treat Respir Med. 2005; 4(3):215-20; discussion 221-2. | FDA Approved | FDA | Marketed | Respiratory system | Asthma; Chronic Obstructive Pulmonary Disease | ||||||||||||
87 | T0099 | Tolterodine tartrate | PNU-200583E; Kabi-2234; Detrol LA | 124937-52-6 | O[C@H]([C@@H](O)C(O)=O)C(O)=O.CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C | C22H31NO·C4H6O6 | 475.58 | Neuroscience | AChR | mAChR | Tolterodine Tartrate(PNU-200583E; Kabi-2234) is a potent antagonist for muscarinic receptor. It show selectivity for the urinary bladder and salivary glands in vivo. | Nilvebrant L, et al. Life Sci, 1997, 60(13-14), 1129-1136. | FDA Approved | FDA | Marketed | Nervous system | Overactive Bladder | ||||||||||||
88 | T0100 | Atazanavir sulfate | BMS-232632 sulfate; BMS-232632 | 229975-97-7 | S(=O)(=O)(O)O.O=C(N[C@H]([C@@H](O)CN(NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(c2ncccc2)cc1)Cc1ccccc1)[C@@H](NC(=O)OC)C(C)(C)C | C38H52N6O7·H2SO4 | 802.93 | Membrane transporter/Ion channel; Neuroscience; Metabolism; Microbiology/virology; Proteases/Proteasome | HIV Protease; P-gp; P450; SARS-CoV | Cytochrome P450; HIV; HIV protease; P-gp (P-glycoprotein); SARS-CoV | Atazanavir sulfate is an azapeptide and HIV-PROTEASE INHIBITOR that is used in the treatment of HIV INFECTIONS and AIDS in combination with other ANTI-HIV AGENTS. | Robinson BS, et al. Antimicrob Agents Chemother, 2000, 44(8), 2093-2099. | FDA Approved | FDA | Marketed | Immune system;Infection | Hiv Infection | ||||||||||||
89 | T0101 | Doxazosin mesylate | UK 33274 mesylate | 77883-43-3 | C(=O)(C1Oc2c(OC1)cccc2)N1CCN(CC1)c1nc2c(c(n1)N)cc(c(c2)OC)OC.CS(=O)(=O)O | C24H29N5O8S | 547.58 | Autophagy; GPCR/G Protein; Neuroscience | Adrenergic Receptor; Autophagy; Mitophagy | Adrenergic Receptor; Autophagy; Mitophagy; α1-adrenergic receptor | Doxazosin mesylate(UK 33274) is a quinazoline-derivative. It is a selectively antagonizes postsynaptic α1-adrenergic receptors. | Garrison JB, et al. Cancer Res, 2006, 66(1), 464-472. | FDA Approved | FDA | Marketed | Endocrine system | Benign Prostatic Hyperplasia; Hypertension | ||||||||||||
90 | T0102 | Naloxone hydrochloride | Naloxone HCl | 357-08-4 | C=CCN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1Cc1c3c(c(cc1)O)O4)O.Cl | C19H21NO4·HCl | 363.84 | Endocrinology/Hormones; GPCR/G Protein; Neuroscience | Opioid Receptor | Opioid Receptor | Naloxone hydrochloride is a specific opiate antagonist that has no agonist activity. It is a competitive antagonist at mu, delta, and kappa opioid receptors. | Liu B, et al. J Pharmacol Exp Ther, 2000, 293(2), 607-617. | FDA Approved | FDA | Marketed | Nervous system | Opioid abuse | ||||||||||||
91 | T0103 | Dipivefrin hydrochloride | Dipivefrin HCL | 64019-93-8 | Cl.CNCC(O)c1cc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)cc1 | C19H27NO5·HCl | 387.9 | GPCR/G Protein; Neuroscience | AChR; Adrenergic Receptor | AChR; Adrenergic Receptor | Dipivefrin that is available as an ophthalmic solution is a prodrug of adrenaline, which is used to treat glaucoma. | Nakamura M, et al. Ophthalmic Res. 1993;25(1):46-51. | FDA Approved | FDA | Marketed | Others | Open-Angleglaucoma | ||||||||||||
92 | T0104 | Umifenovir hydrochloride | Arbidol hydrochloride; Umifenovir hydrochloride; Arbidol HCl | 131707-23-8 | Cl.CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12 | C22H25BrN2O3S·HCl | 513.88 | Microbiology/virology | Influenza Virus; SARS-CoV | Influenza A virus; Influenza Virus; SARS-CoV | Arbidol (Umifenovir) hydrochloride, an broad-spectrum antiviral chemical agent, can inhibit cell invade of enveloped viruses by blocking viral fusion with host cell membrane. | Pécheur EI, et al. Biochemistry, 2007, 46(20), 6050-6059. | Others Approved | NMPA | Marketed | Immune system;Infection | Influenza | ||||||||||||
93 | T0106 | Methazolamide | L584601; CL 8490 | 554-57-4 | Cn1nc(sc1=NC(=O)C)S(=O)(=O)N | C5H8N4O3S2 | 236.27 | Metabolism | Carbonic Anhydrase | bCAIV; Carbonic Anhydrase; hCAI; hCAII | Methazolamide is a carbonic anhydrase inhibitor that is used as a diuretic and in the treatment of glaucoma. | Casini A, et al. Bioorg Med Chem Lett, 2003, 13(5), 841-845. | FDA Approved | FDA | Marketed | Others | diuretic;glaucoma | ||||||||||||
94 | T0107 | Halcinonide | SQ-18566; Halciderm; Halcimat; Halcinonida | 3093-35-4 | CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CCl | C24H32ClFO5 | 454.96 | Endocrinology/Hormones; Stem Cells | Glucocorticoid Receptor; Smo | Glucocorticoid Receptor; Smo | Halcinonide, a high-efficiency corticosteroid, is served as an anti-inflammatory agent used in topical preparations. | Zhang YD, et al. Am J Surg, 2002, 184(1), 74-77. | FDA Approved | FDA | Marketed | Endocrine system | Skin Condition | ||||||||||||
95 | T0108 | Bumetanide | PF 1593; Ro 10-6338 | 28395-03-1 | CCCCNc1cc(cc(c1Oc1ccccc1)S(N)(=O)=O)C(O)=O | C17H20N2O5S | 364.41 | Membrane transporter/Ion channel | Na-K-Cl cotransporter | Na-K-Cl cotransporter | Bumetanide is a potent sulfamoylanthranilic acid derivative belonging to the class of loop diuretics. In the brain, bumetanide may prevent seizures in neonates by blocking the bumetanide-sensitive sodium-potassium-chloride cotransporter (NKCC1), thereby inhibiting chloride uptake thus, decreasing the internal chloride concentration in neurons and may block the excitatory effect of GABA in neonates. | Thakker RV. Adv Nephrol Necker Hosp. 1999;29:289-98. | FDA Approved | FDA | Marketed | Others | diuretic;edema associated with congestive heart failure, hepatic and renal disease including the nephrotic syndrome. | ||||||||||||
96 | T0109 | Molsidomine | Morsydomine; SIN-10; Corvaton | 25717-80-0 | CCOC(=O)[N-]c1c[n+](no1)N1CCOCC1 | C9H14N4O4 | 242.23 | Immunology/Inflammation; NF-κB | NOD | NOD | Molsidomine is an orally active, long-acting vasodilating drug. It metabolizes in the liver to the active metabolite linsidomine, that releases nitric oxide (NO) upon decay as the actual vasodilating compound. | Volker B. Fiedler, et al. Naunyn-Schmiedeberg's Archives of Pharmacology. 1981, 317(1):71-77. | Others Approved | NMPA | Marketed | Cardiovascular system | Angina Pectoris | ||||||||||||
97 | T0110 | Zalcitabine | 2',3'-Dideoxycytidine; Dideoxycytidine; ddC; NSC 606170; Ro 24-2027/000 | 7481-89-2 | Nc1nc(=O)n(cc1)[C@H]1CC[C@@H](CO)O1 | C9H13N3O3 | 211.22 | Microbiology/virology; Proteases/Proteasome | HIV Protease; Reverse Transcriptase | HIV; Reverse Transcriptase | Zalcitabine(Dideoxycytidine;ddC; 2', 3'-Dideoxycytidine) is a nucleoside analog reverse transcriptase inhibitor (NRTI); At low concentrations, It can potently inhibit HIV replication by binding to reverse transcriptase terminated synthesis of viral DNA chain. | Adkins JC, et al. Zalcitabine. An update of its pharmacodynamic and pharmacokinetic properties and clinical efficacy in the management of HIV infection.Drugs. 1997 Jun;53(6):1054-80. | FDA Approved | FDA | Marketed | Immune system | Hiv Infection | ||||||||||||
98 | T0111 | Solifenacin succinate | YM905 | 242478-38-2 | O(C(=O)N1[C@H](c2c(CC1)cccc2)c1ccccc1)[C@@H]1C2CCN(C1)CC2.O=C(O)CCC(=O)O | C23H26N2O2·C4H6O4 | 480.56 | Neuroscience | AChR | mAChR | Solifenacin succinate is a quinuclidine and tetrahydroisoquinoline derivative and selective M3 MUSCARINIC ANTAGONIST. It is used as a UROLOGIC AGENT in the treatment of URINARY INCONTINENCE. | Ikeda K, et al. Naunyn Schmiedebergs Arch Pharmacol, 2002, 366(2), 97-103. | FDA Approved | FDA | Marketed | Urinary system | Overactive bladder | ||||||||||||
99 | T0112 | Diltiazem hydrochloride | CRD-401; Diltiazem HCl; RG 83606 HCl | 33286-22-5 | Cl.COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O | C22H27ClN2O4S | 450.98 | Membrane transporter/Ion channel; Metabolism | Calcium Channel | Calcium Channel | Diltiazem Hydrochloride is a benzothiazepine calcium channel blocking agent with vasodilating action due to its antagonism of the actions of CALCIUM ion on membrane functions. | Kraus RL, et al. Molecular mechanism of diltiazem interaction with L-type Ca2+ channels. J Biol Chem. 1998 Oct 16;273(42):27205-12. | FDA Approved | FDA | Marketed | Cardiovascular system | hypertension, chronic stable angina, atrial fibrillation, atrial flutter. | ||||||||||||
100 | T0113 | Mebhydrolin napadisylate | Mebhydroline 1,5-naphthalenedisulfonate salt; Diazoline; Diazolin; Incidal; Omeril | 6153-33-9 | O=S(=O)(O)c1c2cccc(S(=O)(=O)O)c2ccc1.CN1Cc2c(CC1)n(Cc1ccccc1)c1ccccc21.CN1Cc2c(CC1)n(Cc1ccccc1)c1ccccc21 | C19H20N2·1/2C10H8O6S2 | 420.52 | GPCR/G Protein; Immunology/Inflammation; Neuroscience | 5-HT Receptor; AChR; Histamine Receptor | Histamine Receptor; HT; mAChR | Mebhydrolin (napadisylate) is an antihistamine used to relieve allergic symptoms caused by histamine release, including nasal allergies and allergic dermatosis. | Franks HM, et al. Med J Aust. 1981 Oct 31;2(9):477-9. | Others Approved | Hong Kong China,Taiwan China | Marketed | Immune system | Allergic |