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1 | Compound Identifier | Sample IDs | Name | image | comment | Experiment URI | ChemSpiderID | Available amount approx range | Sent for testing? | InChi | SMILES (Open Babel) | other potential structure | Mol. Weight | description | mpt/deg C | 1H NMR | 13C NMR | 19F NMR | Low Res MS | High Res MS | Microanalysis | IR | CAS | Novel or data reference | Synthesis Ref | LogP (ChemDraw) | 3D7 IC50 nM (Avery) | 3D7 IC50 nM (Ralph) | 3D7 IC50 nM (GSK) | K1 IC50 nM (Avery) | HEK293/ % at 120 uM (Avery) | Late stage gametocyte: http://malaria.ourexperiment.org/uri/e2 IC50 nM | Kinetic solubility pH 2 0.01 M HCl ug/mL | Kinetic solubility pH 6.5 isotonic phosphate buffer | In vitro CLint (µL/min/mg protein) | Degradation half life (min) | Degradation rate classification | hERG, IC50 uM | In vivo mouse P. Berghei oral 50 mg/kg | |
2 | OSM-S-01 | PMY 1-1, PMY 1-2, PMY 1-3, PMY 1-4, PMY 1-5, PMY 1-6 | 4-F, pyrrole | http://malaria.ourexperiment.org/uri/1 | https://www.chemspider.com/Chemical-Structure.2397725.html | g | 0 | InChI=1S/C12H12FN/c1-9-3-4-10(2)14(9)12-7-5-11(13)6-8-12/h3-8H,1-2H3 | Cc1ccc(C)n1c1ccc(cc1)F | 189.23 | 48-49 | 1 | 1 | 1 | APCI 190 M+H | http://dx.doi.org/10.1002/cmdc.200600026 | http://dx.doi.org/10.1002/cmdc.200600026 | |||||||||||||||||||||||
3 | OSM-S-02 | PMY 2-4 | 4-F, aldehyde | http://malaria.ourexperiment.org/uri/14 | https://www.chemspider.com/Chemical-Structure.827223.html | g | 1 | InChI=1S/C13H12FNO/c1-9-7-11(8-16)10(2)15(9)13-5-3-12(14)4-6-13/h3-8H,1-2H3 | Cc1cc(C=O)c(C)n1c1ccc(cc1)F | 217.24 | 117-118 | 1 | 1 | 1 | APCI 218 M+H | 1 | http://dx.doi.org/10.1002/cmdc.200600026 | http://dx.doi.org/10.1002/cmdc.200600026 | 60% at 120uM | >5000 | 50% at 120uM | 25% | ||||||||||||||||||
4 | OSM-S-03 | PMY 6-1, JRC 1-1 | 4-F, ethyl ester | http://malaria.ourexperiment.org/uri/20 | https://www.chemspider.com/Chemical-Structure.26285324.html | g | 1 | InChI=1S/C15H16FNO2/c1-4-19-15(18)14-9-10(2)17(11(14)3)13-7-5-12(16)6-8-13/h5-9H,4H2,1-3H3 | CCOC(=O)c1cc(C)n(c1C)c1ccc(cc1)F | 261.29 | red brown solid | 63-66 | 1 | 1 | 1 | ESI 262 M+H | req | 1 | no data, intermediate: http://pubs.acs.org/doi/pdf/10.1021/jo00391a003 | http://dx.doi.org/10.1016/S0040-4020(01)81514-3 | 11960 | >5000 | 12400 | 25% | ||||||||||||||||
5 | OSM-S-04 | PMY 8-2, JRC 2-1 | 4-F, acid | http://malaria.ourexperiment.org/uri/27 | https://www.chemspider.com/Chemical-Structure.4187801.html | g | 1 | InChI=1S/C13H12FNO2/c1-8-7-12(13(16)17)9(2)15(8)11-5-3-10(14)4-6-11/h3-7H,1-2H3,(H,16,17) | Cc1cc(c(C)n1c1ccc(cc1)F)C(=O)O | 233.24 | off-white powder | 241-242 (decomposes) | 1 | 1 | ESI 232 M-H | req | 1 | 519151-74-7 | no data | 75% at 120uM | >5000 | 50% at 120um | 20% | |||||||||||||||||
6 | OSM-S-05 | PMY 10-2 | TCMDC-123812 | http://malaria.ourexperiment.org/uri/2b | https://www.chemspider.com/Chemical-Structure.1817204.html | 20 mg | 1 | InChI=1S/C15H15FN2O3/c1-9-7-13(15(20)21-8-14(17)19)10(2)18(9)12-5-3-11(16)4-6-12/h3-7H,8H2,1-2H3,(H2,17,19) | Cc1cc(c(C)n1c1ccc(cc1)F)C(=O)OCC(=N)O | 290.29 | white powder | 177-178 | 1 | 1 | 1 | ESI 313 M+Na | req | Found: %C 61.93; %H 5.17; %N 9.60 | 1 | 733026-12-5 | no data | 1.69 | 404 | 818 | 375 | 20% | 598 | 50-100 | 50-100 | 29 | 59 | moderate | >33 | neg | ||||||
7 | OSM-S-06 | PMY 11-2 | TCMDC-123794 | http://malaria.ourexperiment.org/uri/2a | https://www.chemspider.com/Chemical-Structure.1769782.html | 50 mg | 1 | InChI=1S/C26H25FN4O4/c1-16-14-22(17(2)30(16)20-12-10-19(27)11-13-20)26(34)35-15-23(32)28-24-18(3)29(4)31(25(24)33)21-8-6-5-7-9-21/h5-14H,15H2,1-4H3,(H,28,32) | Cc1cc(c(C)n1c1ccc(cc1)F)C(=O)OCC(=Nc1c(C)n(C)n(c2ccccc2)c1=O)O | 476.5 | white powder | 1 | 1 | 1 | ESI 477 M+H | req | 1 | 737821-78-2 | no data | 2.04 | 345 | 245 | 152 | 20% | 12.5-25 | 12.5-25 | 60 | 29 | moderate | neg | ||||||||||
8 | OSM-S-07 | PMY 12-1 | 4-F, acylurea | http://malaria.ourexperiment.org/uri/30 | not found | mg | 1 | InChI=1S/C26H34FN3O2/c1-18-17-24(19(2)29(18)23-15-13-20(27)14-16-23)25(31)30(22-11-7-4-8-12-22)26(32)28-21-9-5-3-6-10-21/h13-17,21-22H,3-12H2,1-2H3,(H,28,32) | Cc1cc(c(C)n1c1ccc(cc1)F)C(=O)N(C1CCCCC1)C(=NC1CCCCC1)O | 439.57 | 1 | 1 | 1 | ESI 462 M+Na, 901 2M+Na | req | 1 | 1 | 5.35 | 7800 | >1000 | >5000 | 4550 | 75% | |||||||||||||||||
9 | OSM-S-08 | PMY 12-5 | 4-F, linkerless 123794 analogue | http://malaria.ourexperiment.org/uri/65 | not found | 20 mg | 1 | InChI=1S/C24H23FN4O2/c1-15-14-21(16(2)28(15)19-12-10-18(25)11-13-19)23(30)26-22-17(3)27(4)29(24(22)31)20-8-6-5-7-9-20/h5-14H,1-4H3,(H,26,30) | Cc1cc(c(C)n1c1ccc(cc1)F)C(=Nc1c(C)n(C)n(c2ccccc2)c1=O)O | 418.46 | brown gum | 1 | ESI 441 M+Na | req | 1013239-15-0 | no data | 2.51 | 100% at 80 uM | >1000 | >5000 | ||||||||||||||||||||
10 | OSM-S-09 | PMY 14-1, PMY 35-1 | 4-F, near neighbour analogue acyl | crystal structure | http://malaria.ourexperiment.org/uri/33 | not found | 20 mg | 1 | InChI=1S/C24H20FN3O2S/c1-15-13-18(16(2)27(15)21-11-9-19(25)10-12-21)14-22-23(30)26-24(31-22)28(17(3)29)20-7-5-4-6-8-20/h4-14H,1-3H3/b22-14- | FC1=CC=C(N2C(C)=CC(/C=C3SC(N(C(C)=O)C4=CC=CC=C4)=NC\3=O)=C2C)C=C1 | 433.5 | Not defined isomer | 1 | 1 | 1 | 434 M+Na | req | 1 | 1 | http://dx.doi.org/10.1016/j.bmc.2008.10.032 | 5.13 | 47.4 | 46.5 | 66.2 | 75% | 53 | 0-1.6 | 0-1.6 | rapid non-NADPH acetamide hydrolysis to OSM-S-10 | |||||||||||
11 | OSM-S-10 | PMY 14-3-A, PMY 14-4, PMY 16-1 | 4-F, near neighbour analogue | http://malaria.ourexperiment.org/uri/41 | https://www.chemspider.com/Chemical-Structure.1033652.html | 100 mg | 1 | InChI=1S/C22H18FN3OS/c1-14-12-16(15(2)26(14)19-10-8-17(23)9-11-19)13-20-21(27)25-22(28-20)24-18-6-4-3-5-7-18/h3-13H,1-2H3,(H,24,25,27)/b20-13- | Cc1cc(/C=C\2/C(=NC(=Nc3ccccc3)S2)O)c(C)n1c1ccc(cc1)F | 391.46 | Not defined isomer | 277-278 | 1 | partial | 1 (PMY 16-1) | 392 M+H | req | Found: %C 67.67; %H 4.63; %N 10.80 | 347315-82-6 | no data | http://dx.doi.org/10.1016/j.bmcl.2011.09.049 | 4.78 | 176 | 360.8 | 25% | 0-1.6 | 0-1.6 | 15-19 | 92-113 | moderate | ||||||||||
12 | OSM-S-11 | PMY 18-3, PMY 15-2 | 4-F, arypyrrole alcohol | http://malaria.ourexperiment.org/uri/38 | https://www.chemspider.com/Chemical-Structure.781885.html | 0 | 0 | InChI=1S/C13H14FNO/c1-9-7-11(8-16)10(2)15(9)13-5-3-12(14)4-6-13/h3-7,16H,8H2,1-2H3 | Cc1cc(CO)c(C)n1c1ccc(cc1)F | unstable esp. silica | 1 | 1 | 1 | req | 676339-59-6 | no data | ||||||||||||||||||||||||
13 | OSM-S-12 | PMY 20-1 | 4-H, acid | http://malaria.ourexperiment.org/uri/42 | https://www.chemspider.com/Chemical-Structure.258535.html | 200mg | 1 | InChI=1S/C13H13NO2/c1-9-8-12(13(15)16)10(2)14(9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,15,16) | Cc1cc(c(C)n1c1ccccc1)C(=O)O | 215.25 | 210-211 (decomposes) | 1 | APCI 230 M+CH3 (methyl esterification in sample) | req | 3807-56-5 | no data | Boiko, Igor I (2004). "Synthesis of pyrrolecarboxylic acids from acetonylacetone and acetonylacetoacetic ester". International Electronic Conferences on Synthetic Organic Chemistry, 5th, 6th, Sept. 1-30, 2001 and 2002 [and] 7th, 8th, Nov. 1-30, 2003 and 2004, p. 228. <Need to source> | 70% at 120um | 50% at 120uM | 0% | ||||||||||||||||||||
14 | OSM-S-13 | PMY 21-1 | 4-Me, acid | http://malaria.ourexperiment.org/uri/43 | https://www.chemspider.com/Chemical-Structure.662663.html | 200mg | 1 | InChI=1S/C14H15NO2/c1-9-4-6-12(7-5-9)15-10(2)8-13(11(15)3)14(16)17/h4-8H,1-3H3,(H,16,17) | Cc1ccc(cc1)n1c(C)cc(c1C)C(=O)O | 227.27 | 238-240 (decomposes) | 1 | ESI 228 M-H | req | 3807-57-6 | no data | 70% at 120uM | 0% | 0% | |||||||||||||||||||||
15 | OSM-S-14 | PMY 22-1 | 4-CF3, acid | http://malaria.ourexperiment.org/uri/44 | not found | 200mg | 1 | InChI=1S/C14H12F3NO2/c1-8-7-12(13(19)20)9(2)18(8)11-5-3-10(4-6-11)14(15,16)17/h3-7H,1-2H3,(H,19,20) | Cc1cc(c(C)n1c1ccc(cc1)C(F)(F)F)C(=O)O | 283.25 | 241-242 (decomposes) | 1 | APCI 298 M+CH3 (methyl esterification in sample) | req | 228087-13-6 | no data | 25% at 120uM | 0% | 0% | |||||||||||||||||||||
16 | OSM-S-16 | PMY 27-2 | Benzoyl amide side chain | http://malaria.ourexperiment.org/uri/75 | https://www.chemspider.com/Chemical-Structure.49411.html | 600 mg | 1 | InChI=1S/C20H20N4O3/c1-14-18(20(27)24(23(14)2)16-11-7-4-8-12-16)22-17(25)13-21-19(26)15-9-5-3-6-10-15/h3-12H,13H2,1-2H3,(H,21,26)(H,22,25) | Cc1c(c(=O)n(c2ccccc2)n1C)N=C(CN=C(c1ccccc1)O)O | 364.4 | white powder | 1 | 1 | 81216-96-8 | http://www.ncbi.nlm.nih.gov/pubmed/8267666 | http://www.ncbi.nlm.nih.gov/pubmed/8267666 | 0.15 | inactive at 80 uM | >5000 | |||||||||||||||||||||
17 | OSM-S-17 | PMY 29-1, PMY 29-2 | Boc-Gly-4-aminoantipyrine | http://malaria.ourexperiment.org/uri/6c | not found | 100 mg | 0 | InChI=1S/C18H24N4O4/c1-12-15(20-14(23)11-19-17(25)26-18(2,3)4)16(24)22(21(12)5)13-9-7-6-8-10-13/h6-10H,11H2,1-5H3,(H,19,25)(H,20,23) | Cc1c(c(=O)n(c2ccccc2)n1C)N=C(CN=C(O)OC(C)(C)C)O | 360.41 | 1 | 1 | 1138160-61-8 | http://dx.doi.org/10.1007/s00726-008-0074-1 | ||||||||||||||||||||||||||
18 | OSM-S-15 | PMY 26-1 | hippuric acid | http://malaria.ourexperiment.org/uri/5e | https://www.chemspider.com/Chemical-Structure.451.html | g | 0 | InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12) | c1ccc(cc1)C(=NCC(=O)O)O | 179.17 | 1 | 1 | 495-69-2 | http://jocpr.com/vol2-iss4-2010/JCPR-2-4-410-414.pdf | ||||||||||||||||||||||||||
19 | OSM-S-18 | PMY 30-3 | N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)glycinamide | http://malaria.ourexperiment.org/uri/8d | https://www.chemspider.com/Chemical-Structure.2332829.html | mg | 0 | InChI=1S/C13H16N4O2/c1-9-12(15-11(18)8-14)13(19)17(16(9)2)10-6-4-3-5-7-10/h3-7H,8,14H2,1-2H3,(H,15,18) | Cc1c(c(=O)n(c2ccccc2)n1C)N=C(CN)O | 260.29 | white solid, used crude | 151921-21-0 | http://www.ncbi.nlm.nih.gov/pubmed/8267666 | |||||||||||||||||||||||||||
20 | OSM-S-19 | PMY 31-5 | amide analogue of TCMDC-123812 | http://malaria.ourexperiment.org/uri/8e | not found | 20 mg | 1 | InChI=1S/C15H16FN3O2/c1-9-7-13(15(21)18-8-14(17)20)10(2)19(9)12-5-3-11(16)4-6-12/h3-7H,8H2,1-2H3,(H2,17,20)(H,18,21) | Cc1cc(c(C)n1c1ccc(cc1)F)C(=NCC(=N)O)O | 289.3 | white powder | 193-195 | 1 | ESI 311 M+Na | req | 1 | 1.01 | 25-80% at 80 uM | >1000 | >5000 | ||||||||||||||||||||
21 | OSM-S-21 | PMY 34-1 | amide analogue of TCMDC-123794 | http://malaria.ourexperiment.org/uri/8f | not found | 140 mg | 1 | InChI=1S/C26H26FN5O3/c1-16-14-22(17(2)31(16)20-12-10-19(27)11-13-20)25(34)28-15-23(33)29-24-18(3)30(4)32(26(24)35)21-8-6-5-7-9-21/h5-14H,15H2,1-4H3,(H,28,34)(H,29,33) | Cc1cc(c(C)n1c1ccc(cc1)F)C(=NCC(=Nc1c(C)n(C)n(c2ccccc2)c1=O)O)O | 475.51 | yellow powder | 1 | ESI 498 M+Na | req | 1 | 1.36 | 31000 to 100% 80 uM | >1000 | >5000 | |||||||||||||||||||||
22 | OSM-S-22 | PMY 42-1 | 4-F, amide | http://malaria.ourexperiment.org/uri/bf | not found | 10 mg | 0 | InChI=1S/C13H11ClFNO/c1-8-7-12(13(14)17)9(2)16(8)11-5-3-10(15)4-6-11/h3-7H,1-2H3 | Cc1cc(c(C)n1c1ccc(cc1)F)C(=O)Cl | yellow solid, used crude | req | 1286018-26-5 | no data | |||||||||||||||||||||||||||
23 | OSM-S-23 | PMY 43-1 | 4-H pyrazole ester | http://malaria.ourexperiment.org/uri/c0 | https://www.chemspider.com/Chemical-Structure.87287.html | g | 0 | InChI=1S/C13H14N2O2/c1-3-17-13(16)12-9-14-15(10(12)2)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3 | CCOC(=O)c1cnn(c1C)c1ccccc1 | 230.26 | off-white plates | 1 | 89193-16-8 | http://dx.doi.org/10.1002/jhet.5570240634 | http://dx.doi.org/10.1002/jhet.5570240634 | |||||||||||||||||||||||||
24 | OSM-S-24 | PMY 44-1 | 4-H pyrazole, acid | http://malaria.ourexperiment.org/uri/c4 | https://www.chemspider.com/Chemical-Structure.128103.html | g | 0 | InChI=1S/C11H10N2O2/c1-8-10(11(14)15)7-12-13(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15) | Cc1c(cnn1c1ccccc1)C(=O)O | 202.21 | off-white plates | 167-168 | 1 | 1 | 91138-00-0 | http://dx.doi.org/10.1002/jhet.5570240634 | http://dx.doi.org/10.1002/jhet.5570240634 | |||||||||||||||||||||||
25 | OSM-S-25 | LMW 1-1 | 4-H, pyrrole | http://malaria.ourexperiment.org/uri/4c | https://www.chemspider.com/Chemical-Structure.59889.html | 0 | InChI=1S/C12H13N/c1-10-8-9-11(2)13(10)12-6-4-3-5-7-12/h3-9H,1-2H3 | Cc1ccc(C)n1c1ccccc1 | 171.24 | red/brown solid | 49-50 | 1 | 1 | NA | APCI 173 M+H | 1 | http://dx.doi.org/10.1002/cmdc.200600026 | |||||||||||||||||||||||
26 | OSM-S-26 | LMW 2-1 | 4-Me, pyrrole | http://malaria.ourexperiment.org/uri/4b | https://www.chemspider.com/Chemical-Structure.1468275.html | 0 | InChI=1S/C13H15N/c1-10-4-8-13(9-5-10)14-11(2)6-7-12(14)3/h4-9H,1-3H3 | Cc1ccc(cc1)n1c(C)ccc1C | 185.26 | red/brown solid | 45-46 | 1 | 1 | NA | 1 | http://dx.doi.org/10.1002/cmdc.200600026 | ||||||||||||||||||||||||
27 | OSM-S-27 | LMW 3-1 | 4-CF3, pyrrole | http://malaria.ourexperiment.org/uri/4a | https://www.chemspider.com/Chemical-Structure.2018770.html | 0 | InChI=1S/C13H12F3N/c1-9-3-4-10(2)17(9)12-7-5-11(6-8-12)13(14,15)16/h3-8H,1-2H3 | Cc1ccc(C)n1c1ccc(cc1)C(F)(F)F | 239.24 | red/brown solid | 70-73 | 1 | 1 | http://dx.doi.org/10.1002/cmdc.200600026 | ||||||||||||||||||||||||||
28 | OSM-S-28 | LMW 4-1 | 4-H, aldehyde | http://malaria.ourexperiment.org/uri/4d | https://www.chemspider.com/Chemical-Structure.59886.html | g | 1 | InChI=1S/C13H13NO/c1-10-8-12(9-15)11(2)14(10)13-6-4-3-5-7-13/h3-9H,1-2H3 | Cc1cc(C=O)c(C)n1c1ccccc1 | 199.24 | 88-89 | 1 | 1 | ESI 200 M+H | 1 | 83-18-1 | http://dx.doi.org/10.1002/cmdc.200600026 | 55% at 120um | 80% at 120um | 25% | ||||||||||||||||||||
29 | OSM-S-29 | LMW 5-1 | 4-Me, aldehyde | http://malaria.ourexperiment.org/uri/4e | https://www.chemspider.com/Chemical-Structure.714789.html | g | 1 | InChI=1S/C14H15NO/c1-10-4-6-14(7-5-10)15-11(2)8-13(9-16)12(15)3/h4-9H,1-3H3 | Cc1ccc(cc1)n1c(C)cc(C=O)c1C | 213.28 | 109-110 | 1 | 1 | ESI 214 M+H | 1 | 327060-71-9 | http://dx.doi.org/10.1002/cmdc.200600026 | Hook over - question of solubility/crystals | Hook over - question of solubility/crystals | Hook over - question of solubility/crystals | ||||||||||||||||||||
30 | OSM-S-30 | LMW 6-1 | 4-Me, ethyl ester | http://malaria.ourexperiment.org/uri/4f | https://www.chemspider.com/Chemical-Structure.27420182.html | g | 1 | InChI=1S/C16H19NO2/c1-5-19-16(18)15-10-12(3)17(13(15)4)14-8-6-11(2)7-9-14/h6-10H,5H2,1-4H3 | CCOC(=O)c1cc(C)n(c1C)c1ccc(C)cc1 | 257.32 | 60-62 | 1 | 1 | APCI 258 M+H | req | 1 | 861582-97-0 | Some new pyrrole-aldehydes substituted on the nitrogen, and on oxindole-aldehydes. Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen (1923), 56B, 2368-78. | 85% at 120uM | 50% at 120uM | 0% | |||||||||||||||||||
31 | OSM-S-31 | LMW 8-1 | 4-H, ethyl ester | http://malaria.ourexperiment.org/uri/50 | https://www.chemspider.com/Chemical-Structure.2023706.html | g | 1 | InChI=1S/C15H17NO2/c1-4-18-15(17)14-10-11(2)16(12(14)3)13-8-6-5-7-9-13/h5-10H,4H2,1-3H3 | CCOC(=O)c1cc(C)n(c1C)c1ccccc1 | 243.3 | low melting solid | - | 1 | 1 | APCI 244 M+H | 1 | 76546-68-4 | http://dx.doi.org/10.1016/0040-4020(80)80102-5 | 80% at 120uM | 0% | 0% | |||||||||||||||||||
32 | OSM-S-32 | LMW 9-1 | 4-CF3, ethyl ester | http://malaria.ourexperiment.org/uri/51 | https://www.chemspider.com/Chemical-Structure.26282671.html | g | 1 | InChI=1S/C16H16F3NO2/c1-4-22-15(21)14-9-10(2)20(11(14)3)13-7-5-12(6-8-13)16(17,18)19/h5-9H,4H2,1-3H3 | CCOC(=O)c1cc(C)n(c1C)c1ccc(cc1)C(F)(F)F | 311.3 | 67-68 | 1 | 1 | APCI 312 M+H | 1 | 773136-98-4 | no data | 85% at 120uM | 20% at 120um | 75% | ||||||||||||||||||||
33 | OSM-S-33 | ZYH 1-1 | 3,5-CF3, arylpyrrole | http://malaria.ourexperiment.org/uri/52 | https://www.chemspider.com/Chemical-Structure.1409714.html | 800 mg | 0 | InChI=1S/C14H11F6N/c1-8-3-4-9(2)21(8)12-6-10(13(15,16)17)5-11(7-12)14(18,19)20/h3-7H,1-2H3 | Cc1ccc(C)n1c1cc(cc(c1)C(F)(F)F)C(F)(F)F | 307.23 | oil | liquid at room temp | 1 | 1 | 1 | APCI 306.07050 M+H (M-H? PY) | 1 | 175205-51-3 | no data | |||||||||||||||||||||
34 | OSM-S-20 | PMY 32-3 | 4-F acid chloride | http://malaria.ourexperiment.org/uri/bd | not found | 0 | InChI=1S/C13H11ClFNO/c1-8-7-12(13(14)17)9(2)16(8)11-5-3-10(15)4-6-11/h3-7H,1-2H3 | Cc1cc(c(C)n1c1ccc(cc1)F)C(=O)Cl | 251.68 | yellow solid, used crude | req | 1 | http://www.wipo.int/patentscope/search/en/WO2006076202 | |||||||||||||||||||||||||||
35 | OSM-S-34 | ZYH 2-2 | 4-CF3 aldehyde | http://malaria.ourexperiment.org/uri/58 | https://www.chemspider.com/Chemical-Structure.2061700.html | g | 0 | InChI=1S/C14H12F3NO/c1-9-7-11(8-19)10(2)18(9)13-5-3-12(4-6-13)14(15,16)17/h3-8H,1-2H3 | Cc1cc(C=O)c(C)n1c1ccc(cc1)C(F)(F)F | 267.25 | brown powder | 85-87 | 1 (wet) | 1 | 1 | ESI 268 M+H | ESI 290.07619 M+Na | 1 | 256529-25-6 | no data | ||||||||||||||||||||
36 | OSM-S-37 | ZYH 5-1 | 4-Me, aryl near neighbour | http://malaria.ourexperiment.org/uri/56 | not found | 100 mg | 1 | InChI=1S/C23H21N3OS/c1-15-9-11-20(12-10-15)26-16(2)13-18(17(26)3)14-21-22(27)25-23(28-21)24-19-7-5-4-6-8-19/h4-14H,1-3H3,(H,24,25,27)/b21-14- | Cc1ccc(cc1)n1c(C)cc(/C=C\2/C(=NC(=Nc3ccccc3)S2)O)c1C | 387.51 | yellow powder | 279 (decomposes?) | 1 | NA | ESI 388 M+H | ESI 388.14765 M+H | 1 | 1 | 5.46 | 15 | 9.2 | 15 | 0-1.6 | 0-1.6 | 7 | 245 | low | |||||||||||||
37 | OSM-S-35 | ZYH 3-1, PMY 47-1 | 4-H, aryl near neighbour | crystal structure | http://malaria.ourexperiment.org/uri/54 | https://www.chemspider.com/Chemical-Structure.4780684.html | 150 mg | 0 | InChI=1S/C22H19N3OS/c1-15-13-17(16(2)25(15)19-11-7-4-8-12-19)14-20-21(26)24-22(27-20)23-18-9-5-3-6-10-18/h3-14H,1-2H3,(H,23,24,26)/b20-14- | Cc1cc(/C=C\2/C(=NC(=Nc3ccccc3)S2)O)c(C)n1c1ccccc1 | 373.48 | yellow powder | 273 (decomposes?) | 1 | NA | ESI 374 M+H | ESI 374.13105 M+H | Found: %C 70.63; %H 5.30; %N 11.08; %S 8.64 | 1 | 1321816-74-3 | no data | http://dx.doi.org/10.1016/j.bmcl.2011.09.049 | 4.97 | 26 | 10.9 | 36 | >33 | neg | ||||||||||||
38 | OSM-S-36 | ZYH 4-2/4-3 | 3,5-CF3 aldehyde | http://malaria.ourexperiment.org/near_neighbours/1140/Preparation_of_25dimethyl135bistrifluoromethylphenyl1Hpyrrole3carbaldehyde_ZYH_42.html | not found | 1 g | 0 | InChI=1S/C15H11F6NO/c1-8-3-10(7-23)9(2)22(8)13-5-11(14(16,17)18)4-12(6-13)15(19,20)21/h3-7H,1-2H3 | Cc1cc(C=O)c(C)n1c1cc(cc(c1)C(F)(F)F)C(F)(F)F | 335.24 | brown powder | 95-96 | 1 | 1 | 1 | ESI 305 M-COH ? | ESI 336.08190 M+H | 1 | 1 | |||||||||||||||||||||
39 | OSM-S-38 | ZYH 6-1/6-2 | 4-CF3, aryl near neighbour | http://malaria.ourexperiment.org/near_neighbours/1167/Synthesis_of_ptrifluoromethyl_arylpyrrole_based_nearneighbour_analogue__ZYH_61.html | not found | 400 mg | 1 | InChI=1S/C23H18F3N3OS/c1-14-12-16(15(2)29(14)19-10-8-17(9-11-19)23(24,25)26)13-20-21(30)28-22(31-20)27-18-6-4-3-5-7-18/h3-13H,1-2H3,(H,27,28,30)/b20-13- | Cc1cc(/C=C\2/C(=NC(=Nc3ccccc3)S2)O)c(C)n1c1ccc(cc1)C(F)(F)F | 441.48 | yellow powder | 307 (decomposes?) | 1 (wet) | ESI 442 M+H | ESI 464.10145 M+H | Found: %C 62.68; %H 4.16; %N 9.49 | 1 | 1 | 5.89 | 2.15 | 205 | 29 | 2.2 | 0-1.6 | 0-1.6 | <7 | >250 | low | ||||||||||||
40 | OSM-S-39 | ZYH 7-2 | 3,5-CF3, aryl near neighbour | http://malaria.ourexperiment.org/uri/64 | not found | 100 mg | 1 | InChI=1S/C24H17F6N3OS/c1-13-8-15(9-20-21(34)32-22(35-20)31-18-6-4-3-5-7-18)14(2)33(13)19-11-16(23(25,26)27)10-17(12-19)24(28,29)30/h3-12H,1-2H3,(H,31,32,34)/b20-9- | Cc1cc(/C=C\2/C(=NC(=Nc3ccccc3)S2)O)c(C)n1c1cc(cc(c1)C(F)(F)F)C(F)(F)F | 509.475 | yellow-brown powder | 255 (decomposes?) | 1 | ESI 510.10796 M+H | Found: %C 56.56; %H 3.47; %N 8.38; %F 22.25 | 1 | 1 | 6.82 | 0.78 | 4.7 | 7 | 0.78 | 0-1.6 | 0-1.6 | <7 | >250 | low | |||||||||||||
41 | OSM-S-40 | ZYH 8-1 | benzocaine arylpyrrole | http://malaria.ourexperiment.org/uri/5f | http://www.chemspider.com/Chemical-Structure.611947.html | 4 g | 0 | InChI=1S/C15H17NO2/c1-4-18-15(17)13-7-9-14(10-8-13)16-11(2)5-6-12(16)3/h5-10H,4H2,1-3H3 | CCOC(=O)c1ccc(cc1)n1c(C)ccc1C | 243.3 | yellow-brown crystals | 60-61 | 1 | 1 | NA | APCI 244 M+H | req | 1 | 5159-70-6 | no data | ||||||||||||||||||||
42 | OSM-S-41 | ZYH 9-1 | aminopyridine arylpyrrole | http://malaria.ourexperiment.org/uri/60 | http://www.chemspider.com/Chemical-Structure.4481626.html | 0 | 0 | InChI=1S/C11H12N2/c1-9-6-7-10(2)13(9)11-5-3-4-8-12-11/h3-8H,1-2H3 | Cc1ccc(C)n1c1ccccn1 | 172.226 | yellow/brownish oil | liquid at room temp | 1 | NA | APCI 173 M+H | 1 | http://dx.doi.org/10.1590/S0103-50532008000500011 | 40% | ||||||||||||||||||||||
43 | OSM-S-42 | ZYH 10-1 A | acetonitrile substituted near neighbour | isomer of below | http://malaria.ourexperiment.org/uri/61 | not found | 30 mg | 1 | InChI=1S/C25H19F3N4OS/c1-16-14-18(17(2)32(16)21-10-8-19(9-11-21)25(26,27)28)15-22-23(33)30-24(34-22)31(13-12-29)20-6-4-3-5-7-20/h3-11,14-15H,13H2,1-2H3/b22-15- | Cc1cc(/C=C\2/C(=O)N=C(N(CC#N)c3ccccc3)S2)c(C)n1c1ccc(cc1)C(F)(F)F | 480.504 | 182-183 | 1 | 1 | ESI 982 2M+Na | ESI 503.11264 M+Na | 1 | 1 | 5.57 | assay unsuccessful due to fluorescence | >1000 | >5000 | ||||||||||||||||||
44 | OSM-S-43 | ZYH 10-1 B | acetonitrile substituted near neighbour | crystal structure | http://malaria.ourexperiment.org/uri/61 | not found | 10 mg | 1 | InChI=1S/C25H19F3N4OS/c1-16-14-18(17(2)32(16)21-10-8-19(9-11-21)25(26,27)28)15-22-23(33)31(13-12-29)24(34-22)30-20-6-4-3-5-7-20/h3-11,14-15H,13H2,1-2H3/b22-15-,30-24- | Cc1cc(/C=C\2/C(=O)N(CC#N)/C(=N/c3ccccc3)/S2)c(C)n1c1ccc(cc1)C(F)(F)F | 480.504 | 72-74 | 1 | ESI 503 M+Na | ESI 503.11295 M+Na | 1 | 1 | 6.18 | 3120 | >1000 | >5000 | |||||||||||||||||||
45 | OSM-S-44 | ZYH 11-1 | aldehyde from aminopyridine arylpyrrole | http://malaria.ourexperiment.org/uri/67 | http://www.chemspider.com/Chemical-Structure.846831.html | 1 g | 0 | InChI=1S/C12H12N2O/c1-9-7-11(8-15)10(2)14(9)12-5-3-4-6-13-12/h3-8H,1-2H3 | Cc1cc(C=O)c(C)n1c1ccccn1 | 200.236 | 61-64 | 1 | 1 | NA | APCI 201.10165 M+H | 1 | 32570-90-4 | no data | ||||||||||||||||||||||
46 | OSM-S-45 | ZYH 12-1/12-2 | 4-CF3, acetyl near neighbour | http://malaria.ourexperiment.org/uri/74 | 50 mg | 1 | InChI=1S/C25H20F3N3O2S/c1-15-13-18(16(2)30(15)21-11-9-19(10-12-21)25(26,27)28)14-22-23(33)29-24(34-22)31(17(3)32)20-7-5-4-6-8-20/h4-14H,1-3H3/b22-14- | O=C1N=C(N(C(C)=O)C2=CC=CC=C2)S/C1=C\C3=C(C)N(C(C)=C3)C4=CC=C(C(F)(F)F)C=C4 | 483.505 | 309-311 (turns brown ~230) | 1 | 1 | ESI 506.11167 M+Na | 1 | 1 | 5.54 | 12 | 7.7 | 26 | |||||||||||||||||||||
47 | OSM-S-46 | ZYH 13-1 | aldehyde from benzocaine arylpyrrole | http://malaria.ourexperiment.org/uri/69 | http://www.chemspider.com/Chemical-Structure.523156.html | 1 g | 0 | InChI=1S/C16H17NO3/c1-4-20-16(19)13-5-7-15(8-6-13)17-11(2)9-14(10-18)12(17)3/h5-10H,4H2,1-3H3 | CCOC(=O)c1ccc(cc1)n1c(C)cc(C=O)c1C | 271.31 | 112-114 | 1 | 1 | NA | APCI 272 M+H | req | 1 | 52034-37-4 | no data | |||||||||||||||||||||
48 | OSM-S-47 | ZYH 14-1 | diphenyl thiazolidinone | http://malaria.ourexperiment.org/uri/70 | http://www.chemspider.com/Chemical-Structure.1065422.html | 8 g | 0 | InChI=1S/C15H12N2OS/c18-14-11-19-15(16-12-7-3-1-4-8-12)17(14)13-9-5-2-6-10-13/h1-10H,11H2/b16-15- | c1ccc(cc1)/N=C\1/N(c2ccccc2)C(=O)CS1 | 268.333 | 175-176 | 1 | 1 | NA | APCI 269 M+H | req | 1 | 790-04-5 | no data/really?! | |||||||||||||||||||||
49 | OSM-S-48 | ZYH 15-1 | benzocaine near neighbour | http://malaria.ourexperiment.org/uri/71 | http://www.chemspider.com/Chemical-Structure.13013200.html | 700 mg | 1 | InChI=1S/C25H23N3O3S/c1-4-31-24(30)18-10-12-21(13-11-18)28-16(2)14-19(17(28)3)15-22-23(29)27-25(32-22)26-20-8-6-5-7-9-20/h5-15H,4H2,1-3H3,(H,26,27,29)/b22-15- | CCOC(=O)c1ccc(cc1)n1c(C)cc(/C=C\2/C(=NC(=Nc3ccccc3)S2)O)c1C | 445.532 | 248 (decomposes?) | 1 | 1 | NA | ESI 913 2M+Na | ESI 468.13527 M+Na | 1 | 330633-32-4 | no data | 5.13 | 169 | 338.9 | 267 | |||||||||||||||||
50 | OSM-S-49 | ZYH 16-1 | acetylated near neighbour (unsubstituted arylpyrrole) | http://malaria.ourexperiment.org/uri/77 | not found | 10 mg | 1 | InChI=1S/C24H21N3O2S/c1-16-14-19(17(2)26(16)20-10-6-4-7-11-20)15-22-23(29)25-24(30-22)27(18(3)28)21-12-8-5-9-13-21/h4-15H,1-3H3/b22-15- | O=C1N=C(N(C(C)=O)C2=CC=CC=C2)S/C1=C\C3=C(C)N(C(C)=C3)C4=CC=CC=C4 | 415.507 | 237-238 (turns brown ~210) | 1 | 1 | NA | ESI 416.14285 M+H | 1 | 1 | 4.62 | 63 | 27.6 | 85 | |||||||||||||||||||
51 | OSM-S-50 | ZYH 17-1 | acetylated near neighbour (p-methyl arylpyrrole) | http://malaria.ourexperiment.org/uri/78 | not found | mg | 1 | InChI=1S/C25H23N3O2S/c1-16-10-12-22(13-11-16)27-17(2)14-20(18(27)3)15-23-24(30)26-25(31-23)28(19(4)29)21-8-6-5-7-9-21/h5-15H,1-4H3/b23-15- | O=C1N=C(N(C(C)=O)C2=CC=CC=C2)S/C1=C\C3=C(C)N(C(C)=C3)C4=CC=C(C)C=C4 | 429.533 | 256-258 | 1 | NA | ESI 388.14793 M-C2H3O +H | 1 | 1 | 5.11 | 326 | 156 | 25 | ||||||||||||||||||||
52 | OSM-S-51 | ZYH 18-1 | aminopyridine near neighbour | http://malaria.ourexperiment.org/uri/79 | not found | 500 mg | 1 | InChI=1S/C21H18N4OS/c1-14-12-16(15(2)25(14)19-10-6-7-11-22-19)13-18-20(26)24-21(27-18)23-17-8-4-3-5-9-17/h3-13H,1-2H3,(H,23,24,26)/b18-13- | Cc1cc(/C=C\2/C(=NC(=Nc3ccccc3)S2)O)c(C)n1c1ccccn1 | 374.458 | 276-278 | 1 | NA | ESI 397 M+Na | ESI 375.12680 M+H | 1 | 1 | 4.35 | 307 | 442.4 | 309 | |||||||||||||||||||
53 | OSM-S-52 | ZYH 19-1 | diphenyl near neighbour | http://malaria.ourexperiment.org/uri/7a | not found | 500 mg | 1 | InChI=1S/C29H22F3N3OS/c1-19-17-21(20(2)34(19)25-15-13-22(14-16-25)29(30,31)32)18-26-27(36)35(24-11-7-4-8-12-24)28(37-26)33-23-9-5-3-6-10-23/h3-18H,1-2H3/b26-18-,33-28- | Cc1cc(/C=C\2/C(=O)N(c3ccccc3)/C(=N/c3ccccc3)/S2)c(C)n1c1ccc(cc1)C(F)(F)F | 517.564 | 226-227 | 1 | 1 | 1 | ESI 540 M+Na | ESI 540.13240 M+Na | 1 | 1 | 7.49 | 54 | 484.7 | 372 | ||||||||||||||||||
54 | OSM-S-53 | ZYH 20-1 | N-acetyl phenylthiourea | http://malaria.ourexperiment.org/uri/7b | http://www.chemspider.com/Chemical-Structure.746274.html | 1 g | 0 | InChI=1S/C9H10N2OS/c1-7(12)10-9(13)11-8-5-3-2-4-6-8/h2-6H,1H3,(H2,10,11,12,13) | CC(=NC(=Nc1ccccc1)S)O | 194.253 | 166-167 | 1 | 1 | NA | 1 | 1132-44-1 | http://dx.doi.org/10.1080/03086647708079937 | |||||||||||||||||||||||
55 | OSM-S-54 | ZYH 22-3 | cyclopentane substituted near neighbour | crystal structure | http://malaria.ourexperiment.org/uri/83 | not found | 100 mg | 1 | InChI=1S/C28H26F3N3OS/c1-18-16-20(19(2)33(18)24-14-12-21(13-15-24)28(29,30)31)17-25-26(35)34(23-10-6-7-11-23)27(36-25)32-22-8-4-3-5-9-22/h3-5,8-9,12-17,23H,6-7,10-11H2,1-2H3/b25-17-,32-27- | Cc1cc(/C=C\2/C(=O)N(C3CCCC3)/C(=N/c3ccccc3)/S2)c(C)n1c1ccc(cc1)C(F)(F)F | 509.585 | 71-72 | 1 | 1 | 1 | ESI 510.18203 M+H | 1 | 1 | 6.93 | 34 | 520.1 | 276 | 0-1.6 | 0-1.6 | 14 | 121 | moderate | |||||||||||||
56 | OSM-S-55 | ZYH 23-1 | phenyl substituted thiazolidinone | http://malaria.ourexperiment.org/uri/85 | https://www.chemspider.com/Chemical-Structure.1069675.html | 100 mg | 1 | InChI=1S/C16H12N2OS/c19-15-14(11-12-7-3-1-4-8-12)20-16(18-15)17-13-9-5-2-6-10-13/h1-11H,(H,17,18,19)/b14-11- | c1ccc(cc1)/C=C\1/C(=NC(=Nc2ccccc2)S1)O | 280.344 | 260-261 | 1 | ESI 303 M+Na; 583 2M+Na | 1 | 38771-64-1 | http://dx.doi.org/10.1016/j.bmc.2008.10.032 | http://dx.doi.org/10.1016/j.bmc.2008.10.032 | 100% at 40-100 uM | >1000 | >5000 | ||||||||||||||||||||
57 | OSM-S-56 | JRC 12-4(a) | Triazolourea singleton | http://malaria.ourexperiment.org/tasing/3284/Investigation_on_whether_benzylamine_or_4chloroNmethylaniline_can_couple_with_3chlorosulfonyl1dimethylcarbamoyl1H124triazole_JRC_124.html | https://www.chemspider.com/Chemical-Structure.15995932.html?rid=a2f27a0f-8ab2-45dc-b772-76c0ac9d564e | 34 mg | 1 | InChI=1S/C12H14ClN5O3S/c1-16(2)12(19)18-8-14-11(15-18)22(20,21)17(3)10-6-4-9(13)5-7-10/h4-8H,1-3H3 | CN(C)C(=O)n1cnc(n1)S(=O)(=O)N(C)c2ccc(Cl)cc2 | 343.79 | 1 | 0 | NA | EI 363 M+Na | 0 | http://worldwide.espacenet.com/publicationDetails/biblio?FT=D&date=20040923&DB=EPODOC&locale=en_EP&CC=US&NR=2004186153A1&KC=A1&ND=4 | http://worldwide.espacenet.com/publicationDetails/biblio?FT=D&date=20040923&DB=EPODOC&locale=en_EP&CC=US&NR=2004186153A1&KC=A1&ND=4 | 1.89422 (CLogP) | ||||||||||||||||||||||
58 | OSM-S-57 | PMY 50-1 | pyrazole TCMDC-123812 analogue | http://malaria.ourexperiment.org/uri/106 | 100 mg | 1 | InChI=1S/C13H13N3O3/c1-9-11(13(18)19-8-12(14)17)7-15-16(9)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,14,17) | O=C(OCC(N)=O)C1=C(C)N(N=C1)C2=CC=CC=C2 | 259.26 | 153-155 | 1 | 1 | NA | ESI 282.08456 | 0.81 | |||||||||||||||||||||||||
59 | OSM-S-58 | PMY 38-5-B | NH amine linker | 1 | ||||||||||||||||||||||||||||||||||||
60 | OSM-S-59 | PMY 55-1 | NMe amide linker | 1 | ||||||||||||||||||||||||||||||||||||
61 | OSM-S-60 | PMY 56-1 | NMe amine linker | 1 | ||||||||||||||||||||||||||||||||||||
62 | OSM-S-61 | PMY 57-1 | serine methyl ester side-chain | 1 | ||||||||||||||||||||||||||||||||||||
63 | OSM-S-62 | PMY 58-1-A | pyrrole oxazole methyl ester | 1 | ||||||||||||||||||||||||||||||||||||
64 | OSM-S-63 | pyrrole oxazoline methyl ester | 1 | |||||||||||||||||||||||||||||||||||||
65 | OSM-S-64 | JRC 17-1 | Thienopyrimidine (Morpholine derivative) | 100 mg | 1 | |||||||||||||||||||||||||||||||||||
66 | OSM-L-1 | (2Z,5Z)-5-((1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-3-phenyl-2-(phenylimino)thiazolidin-4-one | 1 | CC1=CC(/C=C2C(N(C3=CC=CC=C3)/C(S/2)=N/C4=CC=CC=C4)=O)=C(C)N1C5=CC(F)=CC=C5 | InChI=1S/C28H22FN3OS/c1-19-16-21(20(2)31(19)25-15-9-10-22(29)18-25)17-26-27(33)32(24-13-7-4-8-14-24)28(34-26)30-23-11-5-3-6-12-23/h3-18H,1-2H3/b26-17-,30-28- | |||||||||||||||||||||||||||||||||||
67 | OSM-S-65 | JRC 20-3 | Iodonated Thienopyrimidine | 10 mg | 1 | |||||||||||||||||||||||||||||||||||
68 | OSM-S-66 | JRC 6-5 | Benzylated mercaptotriazole | 100 mg | 1 | |||||||||||||||||||||||||||||||||||
69 | OSM-S-67 | JRC 10-5 | 6-5 with urea added | 100 mg | 1 | |||||||||||||||||||||||||||||||||||
70 | OSM-S-68 | MD 5-1 | Gem-dimethyl analogue of TCMDC 123812 | http://malaria.ourexperiment.org/matind/4131/Synthesis_of_1amino2methyl1oxopropan2yl_14fluorophenyl25dimethyl1Hpyrrole3carboxylate_MD_51.html | 60 mg | 1 | ||||||||||||||||||||||||||||||||||
71 | OSM-S-69 | JRC15-3 | 1 | |||||||||||||||||||||||||||||||||||||
72 | OSM-S-70 | JRC13-3 | 1 | |||||||||||||||||||||||||||||||||||||
73 | OSM-S-71 | JRC 14-5 | 1 | |||||||||||||||||||||||||||||||||||||
74 | OSM-S-72 | Z31210525 | 1 | O=S(=O)(Nc1ncnc2sc(cc12)c1ccccc1)c1ccccc1 | 367.44472 | |||||||||||||||||||||||||||||||||||
75 | OSM-S-73 | Z196131886 | 1 | Cc1ccc(Nc2ncnc3ccsc23)cc1S(=O)(=O)N(C)C | 348.443 | |||||||||||||||||||||||||||||||||||
76 | OSM-S-74 | Z217709300 | 1 | COc1ccc(cc1)c1sc2c(ncnc2c1)NCc1ccc(s1)S(=O)(=O)NC | 446.566 | |||||||||||||||||||||||||||||||||||
77 | OSM-S-75 | Z229496652 | 1 | COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ncnc2ccsc12 | 404.506 | |||||||||||||||||||||||||||||||||||
78 | OSM-S-76 | Z196139376 | 1 | CC(Nc1ncnc2ccsc12)c1cccc(c1)S(=O)(=O)N | 334.416 | |||||||||||||||||||||||||||||||||||
79 | OSM-S-77 | Z196139364 | 1 | CCOc1ccc(Nc2ncnc3ccsc23)cc1S(=O)(=O)N(C)C | 378.469 | |||||||||||||||||||||||||||||||||||
80 | OSM-S-78 | Z86248675 | 1 | NS(=O)(=O)c1ccc(CNc2nc(nc3ccccc23)c2cscc2)cc1 | 396.485 | |||||||||||||||||||||||||||||||||||
81 | OSM-S-79 | Z367550756 | 1 | NS(=O)(=O)c1cccc(CNc2ncnc3ccsc23)c1 | 320.389 | |||||||||||||||||||||||||||||||||||
82 | OSM-S-80 | Z127173570 | 1 | COc1ccc(cc1)c1cc2ncnc(Oc3ccc(cc3)S(=O)(=O)N3CCOCC3)c2s1 | 483.559 | |||||||||||||||||||||||||||||||||||
83 | OSM-S-81 | Z102381252 | 1 | c1(c(n(c(c1)C)c1ccccc1)C)C(=O)NCC(=O)N(C)C | 299.163 | |||||||||||||||||||||||||||||||||||
84 | OSM-S-82 | Z18964039 | 1 | c1(c(n(c(c1)C)c1ccc(cc1)F)C)C(=O)OCC(=O)NC | 304.122 | |||||||||||||||||||||||||||||||||||
85 | OSM-S-83 | Z31603451 | 1 | c1(c(n(c(c1)C)c1ccccc1)C)C(=O)N1CC(=O)NCC1 | 297.148 | |||||||||||||||||||||||||||||||||||
86 | OSM-S-84 | Z322133338 | 1 | c1(c(n(c(c1)C)c1ccc(cc1)Br)C)C(=O)N(CC(=O)NC)C | 377.074 | |||||||||||||||||||||||||||||||||||
87 | OSM-S-85 | Z56895831 | 1 | c1(c(n(c(c1)C)c1ccccc1)C)c1oc(nn1)SCC(=O)Nc1cc(OC)ccc1 | 434.141 | |||||||||||||||||||||||||||||||||||
88 | OSM-S-86 | Z252425684 | 1 | c1(c(n(c(c1)C)c1ccc(cc1)F)C)C(=O)N(CC(=O)Nc1c(F)cccc1F)CC | 429.166 | |||||||||||||||||||||||||||||||||||
89 | OSM-S-87 | Z168527658 | 1 | c1(c(n(c(c1)C)c1cc(ccc1)C)C)C(=O)N(CC(=O)Nc1noc(c1)C)C | 380.185 | |||||||||||||||||||||||||||||||||||
90 | OSM-S-88 | Z401944072 | 1 | n1(c(cc(c1C)CNC1CCN(CC(=O)NC)CC1)C)c1ccc(cc1)Cl | 388.203 | |||||||||||||||||||||||||||||||||||
91 | OSM-S-89 | 70163819 | 1 | n1(c(cc(c1C)CN1[C@H](C(=O)NCC)C[C@H](C1)N)C)c1c(Cl)cccc1 | 374.187 | |||||||||||||||||||||||||||||||||||
92 | OSM-S-90 | C799-0833 | 1 | c1(c(n(c(c1)C)c1ccc(cc1)CC)C)CN1CCC(C(=O)O)CC1 | 340.215 | |||||||||||||||||||||||||||||||||||
93 | OSM-S-91 | Z18963831 | 1 | c1(c(n(c(c1)C)c1ccc(cc1)F)C)C(=O)OCC(=O)N(C)C | 318.138 | |||||||||||||||||||||||||||||||||||
94 | OSM-S-92 | PMY 66-1 | 2-amino-2-oxoethyl 1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate | http://malaria.ourexperiment.org/uri/197 | not found | 11 mg | 1 | InChI=1S/C12H10FN3O3/c13-9-1-3-10(4-2-9)16-6-8(5-15-16)12(18)19-7-11(14)17/h1-6H,7H2,(H2,14,17) | FC1=CC=C(N2C=C(C(OCC(N)=O)=O)C=N2)C=C1 | 263.22 | 1 | 1 | 1 | |||||||||||||||||||||||||||
95 | OSM-S-93 | AEW 16-1 | 1-(4-fluorophenyl)-N,N,2,5-tetramethyl-1H-pyrrole-3-carboxamide | http://malaria.ourexperiment.org/uri/1a2 | 1 | InChI=1S/C15H17FN2O/c1-10-9-14(15(19)17(3)4)11(2)18(10)13-7-5-12(16)6-8-13/h5-9H,1-4H3 | CC(N1C2=CC=C(F)C=C2)=CC(C(N(C)C)=O)=C1C | |||||||||||||||||||||||||||||||||
96 | OSM-S-94 | AEW 12-1 | 1-(4-fluorophenyl)-2,5-dimethyl-3-(pyrrolidin-1-ylmethyl)-1H-pyrrole | http://malaria.ourexperiment.org/tcmdc_ap/4685/Synthesis_of_aminelinked_analogue_of_TCMDC123812_via_reductive_amination_using_sodium_cyanoborohydride_in_acidic_conditions_AEW_121.html | 5 mg | 1 | InChI=1S/C17H21FN2/c1-13-11-15(12-19-9-3-4-10-19)14(2)20(13)17-7-5-16(18)6-8-17/h5-8,11H,3-4,9-10,12H2,1-2H3 | Cc1cc(CN2CCCC2)c(C)n1c1ccc(cc1)F | ||||||||||||||||||||||||||||||||
97 | OSM-S-95 | AEW 9-2 | 1-benzyl-N-((1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methyl)piperidin-4-amine | http://malaria.ourexperiment.org/tcmdc_ap/4606 | 5 mg | 1 | InChI=1S/C25H30FN3/c1-19-16-22(20(2)29(19)25-10-8-23(26)9-11-25)17-27-24-12-14-28(15-13-24)18-21-6-4-3-5-7-21/h3-11,16,24,27H,12-15,17-18H2,1-2H3 | Cc1cc(CNC2CCN(CC2)Cc2ccccc2)c(C)n1c1ccc(cc1)F | ||||||||||||||||||||||||||||||||
98 | ||||||||||||||||||||||||||||||||||||||||
99 | ||||||||||||||||||||||||||||||||||||||||
100 |
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