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malaria.txt
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MOLREGNO CHEMBLID SOURCE_ID COMPOUND_NAME MOLWEIGHT ALOGP SERIES_NAME A1_ASSAY_ID A1_CHEMBL_ID A1_STANDARD_TYPE A1_RELATION A1_STANDARD_VALUE A1_STANDARD_UNITS A2_ASSAY_ID A2_CHEMBL_ID A2_STANDARD_TYPE A2_RELATION A2_STANDARD_VALUE A2_STANDARD_UNITS CANONICAL_SMILES
1386401 CHEMBL2113992 OSM-S-100 2-((1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl)oxy)propanoic acid 305.3 3.02 Arylpyrrole Series 844788 CHEMBL2114000 IC50 > 40000 nM CC(OC(=O)c1cc(C)n(c1C)c2ccc(F)cc2)C(=O)O
1386402 CHEMBL2113993 OSM-S-101 2-(1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)oxazole-4-carboxylic acid 300.28 3.08 Arylpyrrole Series 844788 CHEMBL2114000 IC50 > 40000 nM Cc1cc(c(C)n1c2ccc(F)cc2)c3occ(n3)C(=O)O
1386403 CHEMBL2113994 OSM-S-102 4-(1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)-N-methyl-4-oxobutanamide 302.34 2.37 Arylpyrrole Series 844788 CHEMBL2114000 IC50 > 40000 nM CNC(=O)CCC(=O)c1cc(C)n(c1C)c2ccc(F)cc2
1386404 CHEMBL2113995 OSM-S-103 4-(1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)-4-oxobutanamide 288.32 2.16 Arylpyrrole Series Cc1cc(C(=O)CCC(=O)N)c(C)n1c2ccc(F)cc2
1386405 CHEMBL2113996 OSM-S-104 2-(1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl)oxazole-4-carboxylic acid 287.25 2.29 Arylpyrrole Series 844788 CHEMBL2114000 IC50 > 40000 nM Cc1c(cnn1c2ccc(F)cc2)c3occ(n3)C(=O)O
1386406 CHEMBL2113997 OSM-S-105 2-(1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl)oxazole-4-carboxamide 286.26 1.66 Arylpyrrole Series 844788 CHEMBL2114000 IC50 > 40000 nM Cc1c(cnn1c2ccc(F)cc2)c3occ(n3)C(=O)N
1386407 CHEMBL2113998 OSM-S-7 N-cyclohexyl-N-(cyclohexylcarbamoyl)-1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide 439.57 6.11 Arylpyrrole Series 844788 CHEMBL2114000 IC50 = 7800 nM Cc1cc(C(=O)N(C2CCCCC2)C(=O)NC3CCCCC3)c(C)n1c4ccc(F)cc4
1386408 CHEMBL2113999 OSM-S-8 N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide 418.46 3.08 Arylpyrrole Series CN1N(C(=O)C(=C1C)NC(=O)c2cc(C)n(c2C)c3ccc(F)cc3)c4ccccc4
1386331 CHEMBL2113923 OSM-S-02 1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde 217.24 2.96 Arylpyrrole Series 844792 CHEMBL2114004 Inhibition = 25 % Cc1cc(C=O)c(C)n1c2ccc(F)cc2
1386332 CHEMBL2113924 OSM-S-03 ethyl 1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate 261.29 3.41 Arylpyrrole Series 844788 CHEMBL2114000 IC50 = 11960 nM 844792 CHEMBL2114004 Inhibition = 25 % CCOC(=O)c1cc(C)n(c1C)c2ccc(F)cc2
1386333 CHEMBL2113925 OSM-S-04 1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid 233.24 2.83 Arylpyrrole Series 844792 CHEMBL2114004 Inhibition = 20 % Cc1cc(C(=O)O)c(C)n1c2ccc(F)cc2
539434 CHEMBL549220 OSM-S-05 TCMDC-123812 290.29 1.91 Arylpyrrole Series 844788 CHEMBL2114000 IC50 = 404 nM 844792 CHEMBL2114004 Inhibition = 20 % Cc1cc(C(=O)OCC(=O)N)c(C)n1c2ccc(F)cc2
532992 CHEMBL533269 OSM-S-06 TCMDC-123794 476.5 2.79 Arylpyrrole Series 844788 CHEMBL2114000 IC50 = 345 nM 844792 CHEMBL2114004 Inhibition = 20 % CN1N(C(=O)C(=C1C)NC(=O)COC(=O)c2cc(C)n(c2C)c3ccc(F)cc3)c4ccccc4
1386334 CHEMBL2113926 OSM-S-09 (Z)-N-(5-((1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-4-oxo-4,5-dihydrothiazol-2-yl)-N-phenylacetamide 433.5 5.14 Arylpyrrole Series 844788 CHEMBL2114000 IC50 = 47 nM 844792 CHEMBL2114004 Inhibition = 75 % CC(=O)N(C1=NC(=O)\C(=C\c2cc(C)n(c2C)c3ccc(F)cc3)\S1)c4ccccc4
1386335 CHEMBL2113927 OSM-S-10 (Z)-5-((1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-(phenylamino)thiazol-4(5H)-one 391.46 5.15 Arylpyrrole Series 844788 CHEMBL2114000 IC50 = 176 nM 844792 CHEMBL2114004 Inhibition = 25 % Cc1cc(\C=C\2/S\C(=N/c3ccccc3)\NC2=O)c(C)n1c4ccc(F)cc4
753748 CHEMBL1329864 OSM-S-12 2,5-dimethyl-1-phenyl-1H-pyrrole-3-carboxylic acid 215.25 2.63 Arylpyrrole Series 844792 CHEMBL2114004 Inhibition = 0 % Cc1cc(C(=O)O)c(C)n1c2ccccc2
1386336 CHEMBL2113928 OSM-S-13 2,5-dimethyl-1-(p-tolyl)-1H-pyrrole-3-carboxylic acid 229.27 3.11 Arylpyrrole Series 844792 CHEMBL2114004 Inhibition = 0 % Cc1ccc(cc1)n2c(C)cc(C(=O)O)c2C
1386337 CHEMBL2113929 OSM-S-14 2,5-dimethyl-1-(4-(trifluoromethyl)phenyl)-1H-pyrrole-3-carboxylic acid 283.25 3.57 Arylpyrrole Series 844792 CHEMBL2114004 Inhibition = 0 % Cc1cc(C(=O)O)c(C)n1c2ccc(cc2)C(F)(F)F
1386338 CHEMBL2113930 OSM-S-16 N-(2-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)-2-oxoethyl)benzamide 364.4 .77 Arylpyrrole Series CN1N(C(=O)C(=C1C)NC(=O)CNC(=O)c2ccccc2)c3ccccc3
1386339 CHEMBL2113931 OSM-S-19 N-(2-amino-2-oxoethyl)-1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide 289.3 1.26 Arylpyrrole Series Cc1cc(C(=O)NCC(=O)N)c(C)n1c2ccc(F)cc2
1386340 CHEMBL2113932 OSM-S-21 N-(2-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)-2-oxoethyl)-1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide 475.51 2.14 Arylpyrrole Series 844788 CHEMBL2114000 IC50 = 31000 nM CN1N(C(=O)C(=C1C)NC(=O)CNC(=O)c2cc(C)n(c2C)c3ccc(F)cc3)c4ccccc4
1386341 CHEMBL2113933 OSM-S-28 2,5-dimethyl-1-phenyl-1H-pyrrole-3-carbaldehyde 199.25 2.76 Arylpyrrole Series 844792 CHEMBL2114004 Inhibition = 25 % Cc1cc(C=O)c(C)n1c2ccccc2
1386342 CHEMBL2113934 OSM-S-29 2,5-dimethyl-1-(p-tolyl)-1H-pyrrole-3-carbaldehyde 213.27 3.24 Arylpyrrole Series 844788 CHEMBL2114000 IC50 844792 CHEMBL2114004 Inhibition Cc1ccc(cc1)n2c(C)cc(C=O)c2C
1386343 CHEMBL2113935 OSM-S-30 ethyl 2,5-dimethyl-1-(p-tolyl)-1H-pyrrole-3-carboxylate 257.33 3.69 Arylpyrrole Series 844792 CHEMBL2114004 Inhibition = 0 % CCOC(=O)c1cc(C)n(c1C)c2ccc(C)cc2
1012121 CHEMBL1588237 OSM-S-31 ethyl 2,5-dimethyl-1-phenyl-1H-pyrrole-3-carboxylate 243.3 3.2 Arylpyrrole Series 844792 CHEMBL2114004 Inhibition = 0 % CCOC(=O)c1cc(C)n(c1C)c2ccccc2
1386344 CHEMBL2113936 OSM-S-32 ethyl 2,5-dimethyl-1-(4-(trifluoromethyl)phenyl)-1H-pyrrole-3-carboxylate 311.3 4.14 Arylpyrrole Series 844792 CHEMBL2114004 Inhibition = 75 % CCOC(=O)c1cc(C)n(c1C)c2ccc(cc2)C(F)(F)F
584333 CHEMBL599702 OSM-S-35 (2Z,5Z)-5-((2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene)-2-(phenylimino)thiazolidin-4-one 373.47 4.95 Arylpyrrole Series 844788 CHEMBL2114000 IC50 = 26 nM Cc1cc(\C=C\2/SC(=Nc3ccccc3)NC2=O)c(C)n1c4ccccc4
1386345 CHEMBL2113937 OSM-S-37 (2Z,5Z)-5-((2,5-dimethyl-1-(p-tolyl)-1H-pyrrol-3-yl)methylene)-2-(phenylimino)thiazolidin-4-one 387.5 5.43 Arylpyrrole Series 844788 CHEMBL2114000 IC50 = 15 nM Cc1ccc(cc1)n2c(C)cc(\C=C\3/S\C(=N/c4ccccc4)\NC3=O)c2C
1386346 CHEMBL2113938 OSM-S-38 (2Z,5Z)-5-((2,5-dimethyl-1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methylene)-2-(phenylimino)thiazolidin-4-one 441.47 5.89 Arylpyrrole Series 844788 CHEMBL2114000 IC50 = 2 nM Cc1cc(\C=C\2/S\C(=N/c3ccccc3)\NC2=O)c(C)n1c4ccc(cc4)C(F)(F)F
1386347 CHEMBL2113939 OSM-S-39 (2Z,5Z)-5-((1-(3,5-bis(trifluoromethyl)phenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-(phenylimino)thiazolidin-4-one 509.47 6.83 Arylpyrrole Series 844788 CHEMBL2114000 IC50 = 1 nM Cc1cc(\C=C\2/S\C(=N/c3ccccc3)\NC2=O)c(C)n1c4cc(cc(c4)C(F)(F)F)C(F)(F)F
1386348 CHEMBL2113940 OSM-S-42 2-((2Z,5Z)-5-((2,5-dimethyl-1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methylene)-4-oxo-2-(phenylimino)thiazolidin-3-yl)acetonitrile 480.5 5.83 Arylpyrrole Series 844788 CHEMBL2114000 IC50 Cc1cc(\C=C\2/SC(=NC2=O)N(CC#N)c3ccccc3)c(C)n1c4ccc(cc4)C(F)(F)F
1386349 CHEMBL2113941 OSM-S-43 (Z)-2-((5-((2,5-dimethyl-1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methylene)-4-oxo-4,5-dihydrothiazol-2-yl)(phenyl)amino)acetonitrile 480.5 5.83 Arylpyrrole Series 844788 CHEMBL2114000 IC50 = 3120 nM Cc1cc(\C=C\2/S\C(=N/c3ccccc3)\N(CC#N)C2=O)c(C)n1c4ccc(cc4)C(F)(F)F
1386350 CHEMBL2113942 OSM-S-45 (Z)-N-(5-((2,5-dimethyl-1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methylene)-4-oxo-4,5-dihydrothiazol-2-yl)-N-phenylacetamide 483.51 5.88 Arylpyrrole Series 844788 CHEMBL2114000 IC50 = 12 nM CC(=O)N(C1=NC(=O)\C(=C\c2cc(C)n(c2C)c3ccc(cc3)C(F)(F)F)\S1)c4ccccc4
1386351 CHEMBL2113943 OSM-S-48 ethyl 4-(2,5-dimethyl-3-((Z)-((Z)-4-oxo-2-(phenylimino)thiazolidin-5-ylidene)methyl)-1H-pyrrol-1-yl)benzoate 445.53 5.15 Arylpyrrole Series 844788 CHEMBL2114000 IC50 = 169 nM CCOC(=O)c1ccc(cc1)n2c(C)cc(\C=C\3/S\C(=N\c4ccccc4)\NC3=O)c2C
1386352 CHEMBL2113944 OSM-S-49 (Z)-N-(5-((2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene)-4-oxo-4,5-dihydrothiazol-2-yl)-N-phenylacetamide 415.51 4.94 Arylpyrrole Series 844788 CHEMBL2114000 IC50 = 63 nM CC(=O)N(C1=NC(=O)\C(=C\c2cc(C)n(c2C)c3ccccc3)\S1)c4ccccc4
1386353 CHEMBL2113945 OSM-S-50 (Z)-N-(5-((2,5-dimethyl-1-(p-tolyl)-1H-pyrrol-3-yl)methylene)-4-oxo-4,5-dihydrothiazol-2-yl)-N-phenylacetamide 429.53 5.42 Arylpyrrole Series 844788 CHEMBL2114000 IC50 = 326 nM CC(=O)N(C1=NC(=O)\C(=C\c2cc(C)n(c2C)c3ccc(C)cc3)\S1)c4ccccc4
1386354 CHEMBL2113946 OSM-S-51 (2Z,5Z)-5-((2,5-dimethyl-1-(pyridin-2-yl)-1H-pyrrol-3-yl)methylene)-2-(phenylimino)thiazolidin-4-one 374.46 4.34 Arylpyrrole Series 844788 CHEMBL2114000 IC50 = 307 nM Cc1cc(\C=C\2/S\C(=N/c3ccccc3)\NC2=O)c(C)n1c4ccccn4
1386355 CHEMBL2113947 OSM-S-52 (2Z,5Z)-5-((2,5-dimethyl-1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methylene)-3-phenyl-2-(phenylimino)thiazolidin-4-one 517.56 7.67 Arylpyrrole Series 844788 CHEMBL2114000 IC50 = 54 nM Cc1cc(\C=C\2/S\C(=N/c3ccccc3)\N(C2=O)c4ccccc4)c(C)n1c5ccc(cc5)C(F)(F)F
1386356 CHEMBL2113948 OSM-S-54 (2Z,5Z)-3-cyclopentyl-5-((2,5-dimethyl-1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methylene)-2-(phenylimino)thiazolidin-4-one 509.59 7.5 Arylpyrrole Series 844788 CHEMBL2114000 IC50 = 34 nM Cc1cc(\C=C\2/S\C(=N/c3ccccc3)\N(C4CCCC4)C2=O)c(C)n1c5ccc(cc5)C(F)(F)F
786917 CHEMBL1363033 OSM-S-55 (2Z,5Z)-5-benzylidene-2-(phenylimino)thiazolidin-4-one 280.34 3.78 Arylpyrrole Series O=C1N=C(Nc2ccccc2)S/C/1=C\c3ccccc3
1386357 CHEMBL2113949 OSM-L-1 (2Z,5Z)-5-((1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-3-phenyl-2-(phenylimino)thiazolidin-4-one 467.56 6.93 Arylpyrrole Series Cc1cc(\C=C\2/S\C(=N/c3ccccc3)\N(C2=O)c4ccccc4)c(C)n1c5cccc(F)c5
6579 CHEMBL76 CQ chloroquine 319.87 4.35 844788 CHEMBL2114000 IC50 = 15 nM 844792 CHEMBL2114004 Inhibition = 100 % CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12
6936 CHEMBL269671 Art artemisinin 282.33 2 844788 CHEMBL2114000 IC50 = 41063 nM 844792 CHEMBL2114004 Inhibition = 25 % C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4
440370 CHEMBL258608 Artesut artesunate 384.42 1.85 C[C@@H]1CC[C@H]2[C@@H](C)C(OC(=O)CCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4
2080 CHEMBL36 Pyrimethamine Pyrimethamine 248.71 2.75 844788 CHEMBL2114000 IC50 = 8.95 nM CCc1nc(N)nc(N)c1c2ccc(Cl)cc2
72505 CHEMBL298470 Tafenoquine Tafenoquine 463.49 5.51 COc1cc(C)c2c(Oc3cccc(c3)C(F)(F)F)c(OC)cc(NC(C)CCCN)c2n1
1386358 CHEMBL2113950 Pyronaridine Pyronaridine 518.05 3.67 844788 CHEMBL2114000 IC50 = 3.2 nM COC1=CC=C2Nc3cc(Cl)ccc3C(=C2N1)N=C4C=C(CN5CCCC5)C(=O)C(=C4)CN6CCCC6
346467 CHEMBL207990 Epoxomicin Epoxomicin 554.72 1.6 844788 CHEMBL2114000 IC50 = 4.2 nM CC[C@H](C)[C@H](NC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
378315 CHEMBL1450 Atovaquone Atovaquone 366.84 5.32 OC1=C([C@@H]2CC[C@H](CC2)c3ccc(Cl)cc3)C(=O)c4ccccc4C1=O
1386359 CHEMBL2113951 OSM-S-56 3-(N-(4-chlorobenzyl)sulfamoyl)-N,N-dimethyl-1H-1,2,4-triazole-1-carboxamide 309.34 1 Triazolourea 844788 CHEMBL2114000 IC50 = 333 nM CN(C)C(=O)n1cnc(n1)S(=O)(=O)N(C)c2ccccc2
1386360 CHEMBL2113952 OSM-S-57 2-amino-2-oxoethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate 259.26 .91 Arylpyrrole Series 844788 CHEMBL2114000 IC50 > 40000 nM Cc1c(cnn1c2ccccc2)C(=O)OCC(=O)N
1386361 CHEMBL2113953 OSM-S-58 2-(((1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methyl)amino)acetamide 275.32 1.59 Arylpyrrole Series 844788 CHEMBL2114000 IC50 > 40000 nM Cc1cc(CNCC(=O)N)c(C)n1c2ccc(F)cc2
1386362 CHEMBL2113954 OSM-S-59 N-(2-amino-2-oxoethyl)-1-(4-fluorophenyl)-N,2,5-trimethyl-1H-pyrrole-3-carboxamide 303.33 1.47 Arylpyrrole Series 844788 CHEMBL2114000 IC50 > 40000 nM CN(CC(=O)N)C(=O)c1cc(C)n(c1C)c2ccc(F)cc2
1386363 CHEMBL2113955 OSM-S-60 2-(((1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methyl)(methyl)amino)acetamide 289.35 2.13 Arylpyrrole Series 844788 CHEMBL2114000 IC50 > 40000 nM CN(CC(=O)N)Cc1cc(C)n(c1C)c2ccc(F)cc2
1386364 CHEMBL2113956 OSM-S-61 methyl 2-(1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamido)-3-hydroxypropanoate 334.34 1.71 Arylpyrrole Series 844788 CHEMBL2114000 IC50 > 40000 nM COC(=O)[C@H](CO)NC(=O)c1cc(C)n(c1C)c2ccc(F)cc2
1386365 CHEMBL2113957 OSM-S-62 methyl 2-(1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)oxazole-4-carboxylate 314.31 3.31 Arylpyrrole Series 844788 CHEMBL2114000 IC50 > 40000 nM COC(=O)c1coc(n1)c2cc(C)n(c2C)c3ccc(F)cc3
1386366 CHEMBL2113958 OSM-S-63 methyl 2-(1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)-4,5-dihydrooxazole-4-carboxylate 316.33 2.98 Arylpyrrole Series 844788 CHEMBL2114000 IC50 > 40000 nM COC(=O)[C@@H]1COC(=N1)c2cc(C)n(c2C)c3ccc(F)cc3
1386367 CHEMBL2113959 OSM-S-64 4-(thieno[3,2-d]pyrimidin-4-yl)morpholine 221.28 1.73 Aminothienopyrimidine Series 844788 CHEMBL2114000 IC50 > 40000 nM C1CN(CCO1)c2ncnc3ccsc23
1386368 CHEMBL2113960 OSM-S-65 6-iodothieno[3,2-d]pyrimidin-4-ol 278.07 2.33 Aminothienopyrimidine Series 844788 CHEMBL2114000 IC50 > 40000 nM Oc1ncnc2cc(I)sc12
8959 CHEMBL11360 OSM-S-66 3-(benzylthio)-1H-1,2,4-triazole 191.25 2.24 Triazolourea 844788 CHEMBL2114000 IC50 > 40000 nM C(Sc1nc[nH]n1)c2ccccc2
1386369 CHEMBL2113961 OSM-S-67 3-(benzylthio)-N,N-dimethyl-1H-1,2,4-triazole-1-carboxamide 262.33 2.43 Triazolourea 844788 CHEMBL2114000 IC50 = 438 nM CN(C)C(=O)n1cnc(SCc2ccccc2)n1
1386370 CHEMBL2113962 OSM-S-68 1-amino-2-methyl-1-oxopropan-2-yl 1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate 318.34 2.71 Arylpyrrole Series 844788 CHEMBL2114000 IC50 > 40000 nM Cc1cc(C(=O)OC(C)(C)C(=O)N)c(C)n1c2ccc(F)cc2
1386371 CHEMBL2113963 OSM-S-69 methyl 3-formamidothiophene-2-carboxylate 185.2 .68 Aminothienopyrimidine Series 844788 CHEMBL2114000 IC50 > 40000 nM COC(=O)c1sccc1NC=O
1386372 CHEMBL2113964 OSM-S-70 4-chlorothieno[3,2-d]pyrimidine 170.62 2.22 Aminothienopyrimidine Series 844788 CHEMBL2114000 IC50 = 9400 nM Clc1ncnc2ccsc12
1386373 CHEMBL2113965 OSM-S-71 thieno[3,2-d]pyrimidin-4-amine 151.19 1.13 Aminothienopyrimidine Series 844788 CHEMBL2114000 IC50 > 40000 nM Nc1ncnc2ccsc12
1386374 CHEMBL2113966 OSM-S-72 N-(6-phenylthieno[2,3-d]pyrimidin-4-yl)benzenesulfonamide 367.44 3.95 Aminothienopyrimidine Series 844788 CHEMBL2114000 IC50 > 40000 nM O=S(=O)(Nc1ncnc2sc(cc12)c3ccccc3)c4ccccc4
1386375 CHEMBL2113967 OSM-S-73 N-(3-hydrosulfonyl-4-methylphenyl)thieno[3,2-d]pyrimidin-4-amine 348.44 3.03 Aminothienopyrimidine Series 844788 CHEMBL2114000 IC50 > 40000 nM CN(C)S(=O)(=O)c1cc(Nc2ncnc3ccsc23)ccc1C
1386376 CHEMBL2113968 OSM-S-74 5-(((6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl)amino)methyl)-N-methylthiophene-2-sulfonamide 446.57 3.84 Aminothienopyrimidine Series 844788 CHEMBL2114000 IC50 = 17600 nM CNS(=O)(=O)c1ccc(CNc2ncnc3cc(sc23)c4ccc(OC)cc4)s1
1386377 CHEMBL2113969 OSM-S-75 N-(1-((4-methoxyphenyl)sulfonyl)piperidin-4-yl)thieno[3,2-d]pyrimidin-4-amine 404.51 2.41 Aminothienopyrimidine Series 844788 CHEMBL2114000 IC50 > 40000 nM COc1ccc(cc1)S(=O)(=O)N2CCC(CC2)Nc3ncnc4ccsc34
1386378 CHEMBL2113970 OSM-S-76 (S)-3-(1-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl)benzenesulfonamide 334.42 2.36 Aminothienopyrimidine Series 844788 CHEMBL2114000 IC50 > 40000 nM CC(Nc1ncnc2ccsc12)c3cccc(c3)S(=O)(=O)N
1386379 CHEMBL2113971 OSM-S-77 2-ethoxy-N,N-dimethyl-5-(thieno[3,2-d]pyrimidin-4-ylamino)benzenesulfonamide 378.47 2.88 Aminothienopyrimidine Series 844788 CHEMBL2114000 IC50 > 40000 nM CCOc1ccc(Nc2ncnc3ccsc23)cc1S(=O)(=O)N(C)C
1386380 CHEMBL2113972 OSM-S-78 4-(((2-(thiophen-3-yl)quinazolin-4-yl)amino)methyl)benzenesulfonamide 396.49 3.31 Aminothienopyrimidine Series 844788 CHEMBL2114000 IC50 > 40000 nM NS(=O)(=O)c1ccc(CNc2nc(nc3ccccc23)c4ccsc4)cc1
1386381 CHEMBL2113973 OSM-S-79 3-((thieno[3,2-d]pyrimidin-4-ylamino)methyl)benzenesulfonamide 320.39 1.98 Aminothienopyrimidine Series 844788 CHEMBL2114000 IC50 > 40000 nM NS(=O)(=O)c1cccc(CNc2ncnc3ccsc23)c1
1386382 CHEMBL2113974 OSM-S-80 4-((4-((6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl)oxy)phenyl)sulfonyl)morpholine 483.56 4.04 Aminothienopyrimidine Series COc1ccc(cc1)c2cc3ncnc(Oc4ccc(cc4)S(=O)(=O)N5CCOCC5)c3s2
1386383 CHEMBL2113975 OSM-S-81 N-(2-(dimethylamino)-2-oxoethyl)-2,5-dimethyl-1-phenyl-1H-pyrrole-3-carboxamide 299.37 1.47 Arylpyrrole Series 844788 CHEMBL2114000 IC50 > 40000 nM CN(C)C(=O)CNC(=O)c1cc(C)n(c1C)c2ccccc2
1386384 CHEMBL2113976 OSM-S-82 2-(methylamino)-2-oxoethyl 1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate 304.32 2.12 Arylpyrrole Series 844788 CHEMBL2114000 IC50 = 9400 nM CNC(=O)COC(=O)c1cc(C)n(c1C)c2ccc(F)cc2
1386385 CHEMBL2113977 OSM-S-83 4-(2,5-dimethyl-1-phenyl-1H-pyrrole-3-carbonyl)piperazin-2-one 297.35 1.29 Arylpyrrole Series 844788 CHEMBL2114000 IC50 > 40000 nM Cc1cc(C(=O)N2CCNC(=O)C2)c(C)n1c3ccccc3
1386386 CHEMBL2113978 OSM-S-84 1-(4-bromophenyl)-N,2,5-trimethyl-N-(2-(methylamino)-2-oxoethyl)-1H-pyrrole-3-carboxamide 378.26 2.22 Arylpyrrole Series CNC(=O)CN(C)C(=O)c1cc(C)n(c1C)c2ccc(Br)cc2
918534 CHEMBL1494650 OSM-S-85 2-((5-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-1,3,4-oxadiazol-2-yl)thio)-N-(3-methoxyphenyl)acetamide 434.51 4 Arylpyrrole Series 844788 CHEMBL2114000 IC50 > 40000 nM COc1cccc(NC(=O)CSc2oc(nn2)c3cc(C)n(c3C)c4ccccc4)c1
1386387 CHEMBL2113979 OSM-S-86 N-(2-((2,6-difluorophenyl)amino)-2-oxoethyl)-N-ethyl-1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide 429.43 4.01 Arylpyrrole Series 844788 CHEMBL2114000 IC50 > 40000 nM CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c2cc(C)n(c2C)c3ccc(F)cc3
1386388 CHEMBL2113980 OSM-S-87 N,2,5-trimethyl-N-(2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)-1-(m-tolyl)-1H-pyrrole-3-carboxamide 380.44 2.67 Arylpyrrole Series CN(CC(=O)Nc1cc(C)on1)C(=O)c2cc(C)n(c2C)c3cccc(C)c3
1386389 CHEMBL2113981 OSM-S-88 2-(4-(((1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methyl)amino)piperidin-1-yl)-N-methylacetamide 388.93 2.37 Arylpyrrole Series 844788 CHEMBL2114000 IC50 = 14700 nM CNC(=O)CN1CCC(CC1)NCc2cc(C)n(c2C)c3ccc(Cl)cc3
1386390 CHEMBL2113982 OSM-S-89 4-amino-1-((1-(2-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methyl)-N-ethylpyrrolidine-2-carboxamide 374.91 2.36 Arylpyrrole Series 844788 CHEMBL2114000 IC50 = 24700 nM CCNC(=O)C1CC(N)CN1Cc2cc(C)n(c2C)c3ccccc3Cl
1386391 CHEMBL2113983 OSM-S-90 1-((1-(4-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methyl)piperidine-4-carboxylic acid 340.46 1.08 Arylpyrrole Series 844788 CHEMBL2114000 IC50 > 40000 nM CCc1ccc(cc1)n2c(C)cc(CN3CCC(CC3)C(=O)O)c2C
1386392 CHEMBL2113984 OSM-S-91 2-(dimethylamino)-2-oxoethyl 1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate 318.34 2.32 Arylpyrrole Series 844788 CHEMBL2114000 IC50 = 11300 nM CN(C)C(=O)COC(=O)c1cc(C)n(c1C)c2ccc(F)cc2
1386393 CHEMBL2113985 OSM-S-92 2-amino-2-oxoethyl 1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate 263.22 .97 Arylpyrrole Series 844788 CHEMBL2114000 IC50 > 40000 nM NC(=O)COC(=O)c1cnn(c1)c2ccc(F)cc2
1386394 CHEMBL2113986 OSM-S-93 1-(4-fluorophenyl)-N,N,2,5-tetramethyl-1H-pyrrole-3-carboxamide 260.31 2.62 Arylpyrrole Series 844788 CHEMBL2114000 IC50 > 40000 nM CN(C)C(=O)c1cc(C)n(c1C)c2ccc(F)cc2
1386395 CHEMBL2113987 OSM-S-94 1-(4-fluorophenyl)-2,5-dimethyl-3-(pyrrolidin-1-ylmethyl)-1H-pyrrole 272.36 3.74 Arylpyrrole Series Cc1cc(CN2CCCC2)c(C)n1c3ccc(F)cc3
1386396 CHEMBL2113988 OSM-S-95 1-benzyl-N-((1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methyl)piperidin-4-amine 391.52 4.43 Arylpyrrole Series 844788 CHEMBL2114000 IC50 = 4800 nM Cc1cc(CNC2CCN(Cc3ccccc3)CC2)c(C)n1c4ccc(F)cc4
1386397 CHEMBL2113989 OSM-S-96 methyl 2-(1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl)oxazole-4-carboxylate 301.27 2.51 Arylpyrrole Series 844788 CHEMBL2114000 IC50 > 40000 nM COC(=O)c1coc(n1)c2cnn(c2C)c3ccc(F)cc3
1386398 CHEMBL2113990 OSM-S-97 4-(1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)-4-oxobutanoic acid 289.3 2.79 Arylpyrrole Series 844788 CHEMBL2114000 IC50 > 40000 nM Cc1cc(C(=O)CCC(=O)O)c(C)n1c2ccc(F)cc2
1386399 CHEMBL2113991 OSM-S-98 4-(1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)-N,N-dimethyl-4-oxobutanamide 316.37 2.57 Arylpyrrole Series 844788 CHEMBL2114000 IC50 > 40000 nM CN(C)C(=O)CCC(=O)c1cc(C)n(c1C)c2ccc(F)cc2
1386400 CHEMBL2113922 OSM-S-99 1-ethoxy-1-oxopropan-2-yl 1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate 333.35 3.6 Arylpyrrole Series 844788 CHEMBL2114000 IC50 > 40000 nM CCOC(=O)C(C)OC(=O)c1cc(C)n(c1C)c2ccc(F)cc2