ABCDEFGHIJKLMNOPQRSTUVWXYZAAABACADAEAFAGAHAIAJAKALAMANAOAPAQARASATAUAVAWAXAYAZBABB
1
± 23SaltBatchTargetTarget % activitySMILES_parentImgNameInChiKeyVendorID/ LabNotebook ID/Other CodeMW_parentFragalysis_refSourceStatusWiki linkMountingResultDataCollectionOutcomeLigandBoundChEMBLDrugbankPDBligandGuide to PharmDrugs of the FutureKegg LigandChEBINIH ClinicalZINCeMoleculesIBM IPGene ExpressionNFDA SubstanceSureChEMBL PatentsPharmGKBHuman MetabSelleckThomson PharmaPubchemMculeNMR shift DBNetworksToxicology ResourceMolPortJapanese ChemicalsBindingDBCompToxLipidmapsDrugCentralCarotenoid MetabolightsBrendarheachemicalbookswisslipidsgsrs
1047
OSA_001041XX01MurCCN1C(N)=CC(C(C)(C)C)=N1
3-(tert-butyl)-1-methyl-1H-pyrazol-5-amineXSCDSAMVQLKDNI-UHFFFAOYSA-NWYH5-X-P153.23
1048
OSA_001041XX01MurCCN1C(N)=CC(C(C)(C)C)=N1
3-(tert-butyl)-1-methyl-1H-pyrazol-5-amine
XSCDSAMVQLKDNI-UHFFFAOYSA-N
WYH5-X-P153.23
1049
OSA_001042XX01MurCCC(C)(C)C1=NN(C)C(NC(NC2=CC=C(Cl)C=C2)=O)=C1
1-(3-(tert-butyl)-1-methyl-1H-pyrazol-5-yl)-3-(4-chlorophenyl)ureaFWIJKWMXNHRSRO-UHFFFAOYSA-NWYH6-X-P306.79
1050
OSA_001042XX01MurCCC(C)(C)C1=NN(C)C(NC(NC2=CC=C(Cl)C=C2)=O)=C1
1-(3-(tert-butyl)-1-methyl-1H-pyrazol-5-yl)-3-(4-chlorophenyl)urea
FWIJKWMXNHRSRO-UHFFFAOYSA-N
WYH6-X-P306.79
1051
OSA_001043XX01MurCClC1=NC2=C(C=NN2)C(NC3=NNC(C(C)C)=C3)=N1
6-chloro-N-(5-isopropyl-1H-pyrazol-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amineSIOMWOBKQAVWMK-UHFFFAOYSA-NWYH8-X-P277.72
1052
OSA_001043XX01MurCClC1=NC2=C(C=NN2)C(NC3=NNC(C(C)C)=C3)=N1
6-chloro-N-(5-isopropyl-1H-pyrazol-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
SIOMWOBKQAVWMK-UHFFFAOYSA-N
WYH8-X-P277.72
1053
OSA_001044XX01MurCCC(C)C1=CC(NC2=NC(N[C@@H](CO)C3CCCCC3)=NC4=C2C=NN4)=NN1
(R)-2-cyclohexyl-2-((4-((5-isopropyl-1H-pyrazol-3-yl)amino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino)ethan-1-olISQKTZJQIVTQSH-HNNXBMFYSA-NWYH9-X-P384.49
1054
OSA_001044XX01MurCCC(C)C1=CC(NC2=NC(N[C@@H](CO)C3CCCCC3)=NC4=C2C=NN4)=NN1
(R)-2-cyclohexyl-2-((4-((5-isopropyl-1H-pyrazol-3-yl)amino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino)ethan-1-ol
ISQKTZJQIVTQSH-HNNXBMFYSA-N
WYH9-X-P384.49
1055
OSA_001045XX01MurCCC(C)(C)C1=CC(N2C(C)=CC=C2C)=NN1
5-(tert-butyl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)-1H-pyrazoleOEMSXMRZOUJFOH-UHFFFAOYSA-NWYH11-X-P217.32
1056
OSA_001045XX01MurCCC(C)(C)C1=CC(N2C(C)=CC=C2C)=NN1
5-(tert-butyl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)-1H-pyrazole
OEMSXMRZOUJFOH-UHFFFAOYSA-N
WYH11-X-P217.32
1057
OSA_001046XX01MurCCC(C)(C)C1=NN(C)C(N2C(C)=CC=C2C)=C1
3-(tert-butyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-1-methyl-1H-pyrazoleGJEZAWGSKCLSGW-UHFFFAOYSA-NWYH12-X-P1231.34
1058
OSA_001046XX01MurCCC(C)(C)C1=NN(C)C(N2C(C)=CC=C2C)=C1
3-(tert-butyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-1-methyl-1H-pyrazole
GJEZAWGSKCLSGW-UHFFFAOYSA-N
WYH12-X-P1231.34
1059
OSA_001047XX01MurCCC(C)(C)C1=CC(N2C(C)=CC=C2C)=NN1C
5-(tert-butyl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)-1-methyl-1H-pyrazoleTZHZITZMYWTHSP-UHFFFAOYSA-NWYH12-X-P2231.34
1060
OSA_001047XX01MurCCC(C)(C)C1=CC(N2C(C)=CC=C2C)=NN1C
5-(tert-butyl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)-1-methyl-1H-pyrazole
TZHZITZMYWTHSP-UHFFFAOYSA-N
WYH12-X-P2231.34
1061
OSA_001048XX01MurCCN1C(C(C)(C)C)=CC(N)=N1
5-(tert-butyl)-1-methyl-1H-pyrazol-3-amineKYZWYUQUBBZLPO-UHFFFAOYSA-NWYH13-X-P153.23
1062
OSA_001048XX01MurCCN1C(C(C)(C)C)=CC(N)=N1
5-(tert-butyl)-1-methyl-1H-pyrazol-3-amine
KYZWYUQUBBZLPO-UHFFFAOYSA-N
WYH13-X-P153.23
1063
OSA_001049XX01MurCCC(C)(C)C1=CC(NC(NC2=CC=C(Cl)C=C2)=O)=NN1C
1-(5-(tert-butyl)-1-methyl-1H-pyrazol-3-yl)-3-(4-chlorophenyl)ureaPSTXVVILKIZARC-UHFFFAOYSA-NWYH15-X-P306.79
1064
OSA_001049XX01MurCCC(C)(C)C1=CC(NC(NC2=CC=C(Cl)C=C2)=O)=NN1C
1-(5-(tert-butyl)-1-methyl-1H-pyrazol-3-yl)-3-(4-chlorophenyl)urea
PSTXVVILKIZARC-UHFFFAOYSA-N
WYH15-X-P306.79
1065
OSA_001050XX01MurCCN1C(C(C)(C)C)=CC(NC2=NC(Cl)=NC3=C2C=NN3)=N1
N-(5-(tert-butyl)-1-methyl-1H-pyrazol-3-yl)-6-chloro-1H-pyrazolo[3,4-d]pyrimidin-4-amineFODXCYLKXVFESG-UHFFFAOYSA-NWYH16-X-P305.77
1066
OSA_001050XX01MurCCN1C(C(C)(C)C)=CC(NC2=NC(Cl)=NC3=C2C=NN3)=N1
N-(5-(tert-butyl)-1-methyl-1H-pyrazol-3-yl)-6-chloro-1H-pyrazolo[3,4-d]pyrimidin-4-amine
FODXCYLKXVFESG-UHFFFAOYSA-N
WYH16-X-P305.77
1067
OSA_001051XX01MurCCC(C)(C)C1=CC(NC2=NC(N[C@H](CO)C3=CC=CC=C3)=NC4=C2C=NN4)=NN1C
(S)-2-((4-((5-(tert-butyl)-1-methyl-1H-pyrazol-3-yl)amino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino)-2-phenylethan-1-ol
MOLGZLFXZJMRCB-OAHLLOKOSA-N
WYH17-X-P406.49
1087
OSA_001071XX01MurCOC[C@H](NC1=NC2=C(C=NN2)C(NC3=NN(C)C(C(C)(C)C)=C3)=N1)C4=CC=CC=C4
(R)-2-((4-((5-(tert-butyl)-1-methyl-1H-pyrazol-3-yl)amino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino)-2-phenylethan-1-olMOLGZLFXZJMRCB-HNNXBMFYSA-NWYH25-1-P406.49
1111
OSA_001095xx01MurCNC[C@H](NC1=NC2=C(C=NN2)C(NC3=NN(C)C(C(C)(C)C)=C3)=N1)C4=CC=CC=C4
(R)-N6-(2-amino-1-phenylethyl)-N4-(5-(tert-butyl)-1-methyl-1H-pyrazol-3-yl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamineDINXXNJQQKPNGS-HNNXBMFYSA-NWYH22-1-P405.51
1112
OSA_001095xx02MurCNC[C@H](NC1=NC2=C(C=NN2)C(NC3=NN(C)C(C(C)(C)C)=C3)=N1)C4=CC=CC=C4
(R)-N6-(2-amino-1-phenylethyl)-N4-(5-(tert-butyl)-1-methyl-1H-pyrazol-3-yl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamineDINXXNJQQKPNGS-HNNXBMFYSA-NWYH22-2-P405.51
1128
OSA_001111XX01MurCCC(C)(C)C1=CC(NC2=C3C(NN=C3)=NC(N[C@@H](CC4)CC[C@H]4N)=N2)=NN1C
N6-((1r,4r)-4-aminocyclohexyl)-N4-(5-(tert-butyl)-1-methyl-1H-pyrazol-3-yl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diaminePGFATVWGNSDBAF-HAQNSBGRSA-NWYH30-1-P383.5
1129
OSA_001112XX01MurCCC(C)(C)C1=CC(NC2=C3C(NN=C3)=NC(NCCOCCOCCN)=N2)=NN1C
N6-(2-(2-(2-aminoethoxy)ethoxy)ethyl)-N4-(5-(tert-butyl)-1-methyl-1H-pyrazol-3-yl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
GYAFMGRTCRSKGQ-UHFFFAOYSA-NWYH32-1-P417.52
1191
OSA_001174FA01MurCCC(C)(C)C1=CC(NC2=NC(NC3CCC(NC(N)=N)CC3)=NC4=C2C=NN4)=NN1C
1-(4-((4-((5-(tert-butyl)-1-methyl-1H-pyrazol-3-yl)amino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino)cyclohexyl)guanidine
COHCMYHZVFQCSM-UHFFFAOYSA-NWYH76-1-P425.5
1192
OSA_001175XX01MurCCC(C)(C)C1=CC(NC2=NC(N[C@H]3[C@H](O)CC4=CC=CC=C43)=NC5=C2C=NN5)=NN1C
(1R,2R)-1-((4-((5-(tert-butyl)-1-methyl-1H-pyrazol-3-yl)amino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino)-2,3-dihydro-1H-inden-2-ol
OTFLFRAEUDDJKT-CRAIPNDOSA-NWYH77-1-P418.5
1193
OSA_001176XX01MurCCC(C)(C)C1=CC(NC2=NC(N[C@H]3[C@@H](O)CC4=CC=CC=C43)=NC5=C2C=NN5)=NN1C
(1R,2S)-1-((4-((5-(tert-butyl)-1-methyl-1H-pyrazol-3-yl)amino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino)-2,3-dihydro-1H-inden-2-ol
OTFLFRAEUDDJKT-MAUKXSAKSA-NWYH78-1-P418.5
1194
OSA_001177FA01MurCCC(C)(C)C1=CC(NC2=NC(N[C@H]3CC4=C(C=CC=C4)[C@@H]3N)=NC5=C2C=NN5)=NN1C
N6-((1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl)-N4-(5-(tert-butyl)-1-methyl-1H-pyrazol-3-yl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
XSKJBNCXGBWYOO-YJBOKZPZSA-NWYH85-2-P417.5
1195
OSA_001178FA01MurCCC(C)(C)C1=CC(NC2=NC(N[C@@H]3CC4=C(C=CC=C4)[C@H]3N)=NC5=C2C=NN5)=NN1C
N6-((1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl)-N4-(5-(tert-butyl)-1-methyl-1H-pyrazol-3-yl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
XSKJBNCXGBWYOO-CRAIPNDOSA-NWYH86-2-P417.5
1196
OSA_001179FA01MurCWYH87-1-P459.6
1197
OSA_001180FA01MurCCC(C)(C)C1=CC(NC2=NC(N[C@@H]3CC4=C(C=CC=C4)[C@H]3NC(N)=N)=NC5=C2C=NN5)=NN1C
1-((1R,2R)-2-((4-((5-(tert-butyl)-1-methyl-1H-pyrazol-3-yl)amino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino)-2,3-dihydro-1H-inden-1-yl)guanidine
JHDIHLQPZRBFCN-CRAIPNDOSA-NWYH88-1-P459.6
1201
OSA_001184XX01MurCWYH30-X-BP
1850
OSA_001185XX02MurEO=C(N1)C2=CC(S(NC3=CC(F)=C(N4CCCCC4)C(F)=C3)(=O)=O)=CC=C2NC1=ON-(3,5-difluoro-4-(piperidin-1-yl)phenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamideLKPPSQQPVCVETG-UHFFFAOYSA-NGF-60436.1
1851
OSA_001186XX03MurEO=C(N1)C2=CC(S(NC3=CC(F)=C(N4CCOCC4)C(F)=C3)(=O)=O)=CC=C2NC1=ON-(3,5-difluoro-4-morpholinophenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamideHBFXIXSLKKGUIL-UHFFFAOYSA-NGF-61438.1
1852
OSA_001187XX04MurEO=C(N1)C2=CC(S(NC3=CC(F)=C(N4CCSCC4)C(F)=C3)(=O)=O)=CC=C2NC1=ON-(3,5-difluoro-4-thiomorpholinophenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamideGSGMZLWITOVWPQ-UHFFFAOYSA-NGF-62454
1853
OSA_001188XX05MurEO=C(N1)C2=CC(S(NC3=CC(F)=C(N4CCS(CC4)(=O)=O)C(F)=C3)(=O)=O)=CC=C2NC1=ON-(4-(1,1-dioxidothiomorpholino)-3,5-difluorophenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamideUCHCGTURZBTBPD-UHFFFAOYSA-NGF-63486
1854
OSA_001189XX06MurEO=C(N1)C2=CC(S(NC3=CC(F)=C(N4CCCCCC4)C(F)=C3)(=O)=O)=CC=C2NC1=ON-(4-(azepan-1-yl)-3,5-difluorophenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamideBOAYPEFTQHJQIE-UHFFFAOYSA-NGF-65450.1
1855
OSA_001190XX07MurEO=C(N1)C2=CC(S(NC3=CC(F)=C(N4CC(F)(F)C4)C(F)=C3)(=O)=O)=CC=C2NC1=ON-(4-(3,3-difluoroazetidin-1-yl)-3,5-difluorophenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamideRJDNNHIZOQGBBP-UHFFFAOYSA-NGF-66444
1856
OSA_001191XX08MurEO=C(N1)C2=CC(S(NC3=CC(F)=C(NC4CCC4)C(F)=C3)(=O)=O)=CC=C2NC1=ON-(4-(cyclobutylamino)-3,5-difluorophenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamideIGUQFKSRHDIFRM-UHFFFAOYSA-NGF-69422.1
1857
OSA_001192XX09MurEO=C(N1)C2=CC(S(NC3=CC(F)=C(NC4CCCCC4)C(F)=C3)(=O)=O)=CC=C2NC1=ON-(4-(cyclohexylamino)-3,5-difluorophenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamideMPEOZKZHOMTHIB-UHFFFAOYSA-NGF-70450.1
1858
OSA_001193XX10MurEO=C(N1)C2=CC(S(NC3=CC(F)=C(NC45C[C@H]6CC(CC(C6)C5)C4)C(F)=C3)(=O)=O)=CC=C2NC1=ON-(4-(((1S,3s)-adamantan-1-yl)amino)-3,5-difluorophenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamideFXJVXRJNXPIGMH-VEMWTZSPSA-NGF-71502.1
1859
OSA_001194XX11MurEO=C(N1)C2=CC(S(NC3=CC(F)=C(N4CCC(N5CCOCC5)CC4)C(F)=C3)(=O)=O)=CC=C2NC1=ON-(3,5-difluoro-4-(4-morpholinopiperidin-1-yl)phenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamideFHXHOQJXKIMICK-UHFFFAOYSA-NGF-72521.1
1860
OSA_001195XX12MurEO=C(N1)C2=CC(S(NC3=CC(F)=C(N4CCN(C5=CC=CC=N5)CC4)C(F)=C3)(=O)=O)=CC=C2NC1=ON-(3,5-difluoro-4-(4-(pyridin-2-yl)piperazin-1-yl)phenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamideABPIWNYZULZNIS-UHFFFAOYSA-NGF-73514.1
1861
OSA_001196XX14MurEO=C(N1)C2=CC(S(NC3=CC(F)=C(NCCN4CCOCC4)C(F)=C3)(=O)=O)=CC=C2NC1=ON-(3,5-difluoro-4-((2-morpholinoethyl)amino)phenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamideURUYAOHDTROTPQ-UHFFFAOYSA-NGF-75481.1
1862
OSA_001197XX15MurEO=C(N1)C2=CC(S(NC3=CC(F)=C(NCCC4=CC=CC=N4)C(F)=C3)(=O)=O)=CC=C2NC1=ON-(3,5-difluoro-4-((2-(pyridin-2-yl)ethyl)amino)phenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamideHYYYYHWOSYWDEV-UHFFFAOYSA-NGF-76473.1
1863
OSA_001198XX16MurEO=C(N1)C2=CC(S(NC3=CC(N4CCN(C)CC4)=CC=C3)(=O)=O)=CC=C2NC1=ON-(3-(4-methylpiperazin-1-yl)phenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamideFEXZFAOXHQDRSK-UHFFFAOYSA-NGF-77415.1
1864
OSA_001199XX17MurEO=C(N1)C2=CC(S(NC3=CC=C(N4CCOCC4)N=C3)(=O)=O)=CC=C2NC1=ON-(6-morpholinopyridin-3-yl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamideZSLCJEOASXZCMT-UHFFFAOYSA-NGF-78403.1
1865
OSA_001200XX18MurEO=C(N1)C2=CC(S(NC3=CC=C(N4CCOCC4)C(OC)=C3)(=O)=O)=CC=C2NC1=ON-(2-methoxy-4-morpholinophenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamideKBHQHUHYJPWGNG-UHFFFAOYSA-NGF-79432.1
1866
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