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1
TimestampNameCompound CodeNumber of active assays for the compoundTotal number of assays for the compoundSuitability as a drug leadAny comments you would like to make?NameCompound CountNameTotal Score
2
6/17/2013 22:19:12Participant 1TCMDC-132312132XC50 value is not reported.Participant 12300Participant 12746
3
6/17/2013 22:41:49Participant 1TCMDC-125875262Pass Rule of 3: N
Pass Rule of 5: Y
MedChem Friendly: N

XC_50 = 0.64
Participant 11196Participant 11505
4
6/17/2013 22:49:16Participant 1TCMDC-125292262Pass Rule of 3: N
Pass Rule of 5: Y
MedChem Friendly: N
SMILES code: CC(C)Oc1ccc(cc1)C=CC(=O)Nc2c3ccccc3on2
XC50 = 0.29
Participant 10138Participant 10374
5
6/17/2013 22:57:28Participant 1TCMDC-140397263Pass Rule of 3: N
Pass Rule of 5: Y
MedChem Friendly: Y
XC50 = 0.71
Participant 6107Participant 6282
6
6/17/2013 23:09:35Participant 1TCMDC-123605945074Pass Rule of 3: N
Pass Rule of 5: Y
MedChem Friendly: Y
SMILES code: CCCC(=O)NC(c1ccc(cc1)C)c2ccc3cccnc3c2O
Active 18%
EC50 = 0.348
Participant 1100Participant 1252
7
6/17/2013 23:16:29Participant 1TCMDC-125375263Compound code: TCMDC-125375
Pass Rule of 3: N
Pass Rule of 5: Y
MedChem Friendly: Y
SMILES code: COc1cccc(c1)CNc2ncc(c(n2)c3nccs3)c4ccsc4
Active 30%
XC50 = 0.42
Participant 839Participant 8108
8
6/18/2013 7:29:58Participant 2TCMDC-136946263no information available for potencyParticipant 231Participant 284
9
6/18/2013 16:43:04Participant 1TCMDC-131239105564TCMDC-131239 (Quinidine)
Pass Rule of 3: N
Pass Rule of 5: Y
MedChem Friendly: Y
SMILES code: COc1ccc2c(c1)c(ccn2)[C@@H]([C@H]3C[C@@H]4CCN3C[C@@H]4C=C)O
Active 1.8% (10/556)
Potency = 0.0208uM
XC50 = 0.12 uM
Participant 311Participant 325
10
6/18/2013 16:47:41Participant 1TCMDC-140461163Compound code: TCMDC-140461
Pass Rule of 3: N
Pass Rule of 5: N
MedChem Friendly: Y
SMILES code: c1cc(cc(c1)C(F)(F)F)CNC(=O)c2ccc(cc2)c3[nH]c4cc(c(cc4n3)F)F
Active 16%
XC50 = 0.78
Participant 72Participant 74
11
6/18/2013 16:51:55Participant 1TCMDC-141966163Compound code: TCMDC-141966
Pass Rule of 3: N
Pass Rule of 5: N
MedChem Friendly: Y
SMILES code: COc1cc(cc(c1OC)OC)C(=O)NCc2c(cn(n2)CCN3CCC(CC3)N4CCCC4)c5ccc(c(c5)Cl)Cl
Active 16.66%
XC50 = 0.77 uM
Score 3
Participant 51Participant 53
12
6/18/2013 16:56:06Participant 1TCMDC-135563262Compound code: TCMDC-135563
Pass Rule of 3: N
Pass Rule of 5: N
MedChem Friendly: Y
SMILES code: Cn1c2ccccc2c3c1CCN(C3)CCC4(CN(CCO4)C(=O)Cc5ccccc5)c6ccc(c(c6)Cl)Cl
Active 33 %
XC50 = 0.36 uM
Score = 2
Participant 41Participant 42
13
6/18/2013 17:00:26Participant 1TCMDC-125270263Compound code: TCMDC-125270
Pass Rule of 3: N
Pass Rule of 5: Y
MedChem Friendly: Y
SMILES code: c1cc2c(cc1Cl)N(CCO2)c3ccc(s3)C(=O)NC4CC4
Active 33%
XC50 = 0.8
Score 3
Participant 91Participant 92
14
6/18/2013 17:04:28Participant 1TCMDC-137452262Compound code: TCMDC-137452
Pass Rule of 3: N
Pass Rule of 5: N
MedChem Friendly: Y
SMILES code: c1cc(nc(c1)C(=N)NCCCCC2CCCCC2)C(=N)NCCCCC3CCCCC3.Cl
Active 33%
XC50 = 0.39
Score 2
15
6/18/2013 17:11:59Participant 1TCMDC-12347611373Compound code: TCMDC-123476
Pass Rule of 3: N
Pass Rule of 5: Y
MedChem Friendly: Y
SMILES code: CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br.Cl
Active 29.7%
XC50 = 0.77 uM
IC50 = 0.04 uM
Score 3
16
6/18/2013 17:21:53Participant 1TCMDC-12345674482Compound code: TCMDC-123456 (BRL 15572)
Pass Rule of 3: N
Pass Rule of 5: N
MedChem Friendly: Y
SMILES code: c1ccc(cc1)C(c2ccccc2)C(CN3CCN(CC3)c4cccc(c4)Cl)O.Cl
Active 1.5%
Potency = 0.005 uM(inconclusive), 1.58 uM (active)
XC50 = 1.15 uM
Score 2
17
6/18/2013 17:25:52Participant 1TCMDC-132197261Compound code: TCMDC-132197
Pass Rule of 3: N
Pass Rule of 5: N
MedChem Friendly: Y
SMILES code: Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4cccc(c4)NC(=O)c5cccc(c5)C(=O)N
Active 33%
XC50 = 1.13 uM
Score 1
18
6/18/2013 17:29:32Participant 1TCMDC-138521163Compound code: TCMDC-138521
Pass Rule of 3: N
Pass Rule of 5: N
MedChem Friendly: Y
SMILES code: c1ccc(c(c1)c2ccc(cc2)C(F)(F)F)C(=O)Nc3ccc(cc3)N4CCN(CC4)Cc5c[nH]c6c5ccc(c6)F
Active 16%
XC50 = 0.99 uM
Score 3
19
6/18/2013 17:32:48Participant 1TCMDC-133224262Compound code: TCMDC-133224
Pass Rule of 3: N
Pass Rule of 5: N
MedChem Friendly: Y
SMILES code: c1cc(cc(c1)NC(=O)Nc2ccc(c(c2F)F)F)c3ccc(cc3)c4[nH]c5ccc(cc5n4)C(F)(F)F
Active 33%
XC 50 = 0.26
Score 2
20
6/18/2013 17:36:51Participant 1TCMDC-139108163Compound code: TCMDC-139108
Pass Rule of 3: N
Pass Rule of 5: N
MedChem Friendly: Y
SMILES code: Cc1cc(ccc1Br)NC(=O)Nc2ccc(c(c2)OCCN(C)C)I.Cl
Active 16%
XC50 = 0.62
Score 3
21
6/18/2013 17:42:04Participant 1TCMDC-135788001Compound code: TCMDC-135788
Pass Rule of 3: N
Pass Rule of 5: Y
MedChem Friendly: N
SMILES code: Cc1c(c(=O)c(c([nH]1)C)Cl)c2ccc(cc2)C=Cc3ccc(c(c3)OC)OC

No biological result reported.

Score 1
22
6/18/2013 17:46:51Participant 1TCMDC-132442164Compound code: TCMDC-132442
Pass Rule of 3: N
Pass Rule of 5: Y
MedChem Friendly: Y
SMILES code: CCN(CCCN1CCCCC1)c2cc(nc(n2)Nc3ccc(cc3Cl)C)C.C(=O)(C(F)(F)F)O
Active 16% (1/6)
XC50 = 0.34 uM
Score 4
23
6/18/2013 17:52:42Participant 1TCMDC-135759371Compound code: TCMDC-135759
Pass Rule of 3: N
Pass Rule of 5: N
MedChem Friendly: N
SMILES code: c1cc(c(cc1/C=C/C(=O)NCCCCCN2CCCN(CC2)C(=O)Nc3ccc(c(c3)Cl)Cl)Cl)Cl
Active 42% (3/7)
IC50 = 0.47 uM
XC50 = 0.86 uM
Score 1
24
6/18/2013 17:56:58Participant 1TCMDC-125655164Compound code: TCMDC-125655
Pass Rule of 3: N
Pass Rule of 5: Y
MedChem Friendly: Y
SMILES code: c1cc(cc(c1)N2CCN(CC2)C(=O)C(Cl)(Cl)Cl)C(F)(F)F
Active 16% (1/6)
XC50 = 0.89 uM

Score 4
25
6/18/2013 18:01:40Participant 1TCMDC-141840162Compound code: TCMDC-141840
Pass Rule of 3: N
Pass Rule of 5: N
MedChem Friendly: Y
SMILES code: c1ccc(cc1)c2ccc(cc2)C(=O)Nc3cccc(c3)CN4CCCN(CC4)Cc5ccsc5.C(=O)(C(F)(F)F)O
Active 16%
XC50 = 1.34 uM
Score 2
26
6/18/2013 18:07:33Participant 1TCMDC-1239873934Compound code: TCMDC-123987 (Hydroxychloroquine)
Pass Rule of 3: N
Pass Rule of 5: Y
MedChem Friendly: Y
SMILES code: CCN(CCCC(C)Nc1ccnc2c1ccc(c2)Cl)CCO.OS(=O)(=O)O
Active 3.2 % (3/93)
Potency = 0.0066 uM (inactive)
XC50 = 0.76 uM
Score 4
27
6/18/2013 18:14:30Participant 1TCMDC-1239451133Compound code: TCMDC-123945 (
2-Benzothiazolecarboximidamide)
Pass Rule of 3: N
Pass Rule of 5: Y
MedChem Friendly: Y
SMILES code: c1ccc2c(c1)nc(s2)C(=N)N
Active 7.6% (1/13)
No XC50 or potency value reported.
Score 3
28
6/18/2013 18:18:05Participant 1TCMDC-141729162TCMDC-141729
Pass Rule of 3: N
Pass Rule of 5: N
MedChem Friendly: Y
SMILES code: c1ccc(cc1)CNC(=O)c2c(cn(n2)CCCN3CCC4(CC3)C(=O)NCN4c5ccccc5)c6ccc(c(c6)Cl)Cl
Active 16% (1/6)
XC50 = 1.05uM
Score 2
29
6/18/2013 18:21:25Participant 1TCMDC-132782263Compound code: TCMDC-132782
Pass Rule of 3: N
Pass Rule of 5: Y
MedChem Friendly: Y
SMILES code: Cc1cnc(nc1Oc2ccc(cc2)n3ccnc3)N4CCN(CC4)CC5CCN(CC5)C.C(=O)(C(F)(F)F)O
Active 33% (2/6)
XC50 = 0.72 uM
Score 3
30
6/18/2013 18:24:51Participant 1TCMDC-140954262Compound code: TCMDC-140954
Pass Rule of 3: N
Pass Rule of 5: N
MedChem Friendly: Y
SMILES code: CC(C)(CNC(=O)C1CCN(CC1)Cc2ccoc2)c3[nH]c(c(n3)c4ccc(c(c4)O)Cl)c5ccncc5.Cl
Active 33% (2/6)
XC50 = 0.87 uM
Score 2
31
6/18/2013 18:28:23Participant 1TCMDC-1314674121Compound code: TCMDC-131467
Pass Rule of 3: N
Pass Rule of 5: N
MedChem Friendly: Y
SMILES code: CC(Cc1ccc(cc1)OCC#C)NCC(c2cccc(c2)C(F)(F)F)O
Active 33% (4/12)
XC50 = 1.03 uM
Score 1
32
6/18/2013 18:33:07Participant 1TCMDC-1245625113Compound code: TCMDC-124562
Pass Rule of 3: N
Pass Rule of 5: Y
MedChem Friendly: Y
SMILES code: COc1ccc(cc1)Nc2nc3ccccc3c(n2)NCc4ccco4.Cl
Active 45% (5/11)
Lowest EC50 = 0.2526 uM (active)
XC50 = 0.74 uM
Score 3
33
6/18/2013 20:05:37Participant 3TCMDC-125363133
34
6/18/2013 20:08:25Participant 3TCMDC-138752262
35
6/18/2013 20:10:12Participant 3TCMDC-138554262
36
6/18/2013 20:12:25Participant 3TCMDC-125873291483
37
6/18/2013 20:13:31Participant 2TCMDC-141197263
38
6/18/2013 20:13:54Participant 3TCMDC-137844361
39
6/18/2013 20:15:21Participant 3TCMDC-138199363
40
6/18/2013 20:17:27Participant 3TCMDC-137332363
41
6/18/2013 20:19:41Participant 3TCMDC-140173261
42
6/18/2013 20:23:11Participant 4TCMDC-140945262
43
6/18/2013 20:29:57Participant 3TCMDC-137612362
44
6/18/2013 20:32:41Participant 3TCMDC-141015262
45
6/18/2013 20:34:15Participant 3TCMDC-124553263
46
6/18/2013 22:43:13Participant 2TCMDC-136946263no information available for potency
47
6/18/2013 22:47:19Participant 2TCMDC-125535164
48
6/18/2013 22:49:29Participant 2TCMDC-141666164
49
6/18/2013 22:50:49Participant 2TCMDC-132865263
50
6/18/2013 22:52:54Participant 2TCMDC-131613163
51
6/18/2013 22:54:58Participant 2TCMDC-134690361
52
6/18/2013 22:58:47Participant 2TCMDC-125842108144
53
6/18/2013 23:00:05Participant 2TCMDC-1238866144
54
6/18/2013 23:02:14Participant 2TCMDC-131240264
55
6/18/2013 23:03:21Participant 2TCMDC-135290262
56
6/18/2013 23:04:55Participant 2TCMDC-138139263
57
6/18/2013 23:06:00Participant 2TCMDC-124642263
58
6/18/2013 23:07:18Participant 2TCMDC-136012163
59
6/18/2013 23:09:03Participant 2TCMDC-135624263
60
6/18/2013 23:10:29Participant 2TCMDC-1242921113
61
6/18/2013 23:23:50Participant 2TCMDC-12347611373
62
6/18/2013 23:25:47Participant 2TCMDC-133805223
63
6/18/2013 23:26:59Participant 2TCMDC-139902162
64
6/18/2013 23:28:41Participant 2TCMDC-1378565113
65
6/18/2013 23:29:44Participant 2TCMDC-134544262
66
6/18/2013 23:33:23Participant 2TCMDC-136990002could not find info on assays?
67
6/19/2013 0:35:38Participant 2TCMDC-124877163
68
6/19/2013 0:37:06Participant 2TCMDC-124285372
69
6/19/2013 0:38:29Participant 2TCMDC-132105362
70
6/19/2013 0:39:34Participant 2TCMDC-133949363
71
6/19/2013 0:40:47Participant 2TCMDC-140004260
72
6/19/2013 0:43:13Participant 2TCMDC-132255162no potency value
73
6/19/2013 0:44:19Participant 2TCMDC-134887261
74
6/19/2013 0:45:18Participant 2TCMDC-123740263
75
6/19/2013 8:12:19Participant 5TCMDC-142002263
76
6/19/2013 12:50:57Participant 1TCMDC-1238856133Compound code: TCMDC-123885
Pass Rule of 3: N
Pass Rule of 5: Y
MedChem Friendly: Y
SMILES code: c1ccnc(c1)c2csc(n2)Nc3ccc(cn3)Cl
Active 46%
XC50 = 0.77
Score 3
77
6/19/2013 12:55:56Participant 1TCMDC-133159163Compound code: TCMDC-133159
Pass Rule of 3: N
Pass Rule of 5: N
MedChem Friendly: Y
SMILES code: Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4cccc(c4)NC(=O)NCc5ccccc5
Active 16% (1/6)
XC50 = 0.52 uM
Score 3
78
6/19/2013 13:04:02Participant 1TCMDC-1399203121Compound code: TCMDC-139920
Pass Rule of 3: N
Pass Rule of 5: N
MedChem Friendly: N
SMILES code: c1ccc2c(c1)c(c[nH]2)C3CCN(CC3)CC4CCC(CC4)NC(=O)C=Cc5cccc(c5Cl)Cl
Active 25% (3/12)
XC50 = 0.68 uM and 1.14uM
Score 1
Smiles search generates a compound as TCMDC-139910. However, they are the same compound.
79
6/19/2013 14:13:06Participant 1TCMDC-12554645616103Compound code: TCMDC-125546 (ellipticine)
Pass Rule of 3: N
Pass Rule of 5: Y
MedChem Friendly: Y
SMILES code: Cc1c2ccncc2c(c3c1[nH]c4c3cccc4)C
Active 28% (456/1610)
IC50 = 0.00056 uM
XC50 = 0.8 uM
Score 3
80
6/19/2013 14:18:13Participant 1TCMDC-132784261Compound code: TCMDC-132784
Pass Rule of 3: N
Pass Rule of 5: N
MedChem Friendly: Y
SMILES code: CCCC(=O)Nc1ccc(cc1)OCCCCN(CC(C)(C)C)c2ccc(c(c2)C(F)(F)F)C#N
Active 33% (2/6)
XC50 = 1.35uM
Score 1
81
6/19/2013 14:22:50Participant 1TCMDC-133359262Compound code: TCMDC-133359
Pass Rule of 3: N
Pass Rule of 5: N
MedChem Friendly: Y
SMILES code: CCCC(=O)Nc1ccc(cc1)OCCCCN(Cc2ccccc2C(F)(F)F)c3ccc(c(c3)C#N)C(F)(F)F
Active 33% (2/6)
XC50 = 0.97 uM
Score 2
82
6/19/2013 14:30:16Participant 1TCMDC-1239873934Compound code: TCMDC-123987 (Hydroxychloroquine)
Pass Rule of 3: N
Pass Rule of 5: Y
MedChem Friendly: Y
SMILES code: CCN(CCCC(C)Nc1ccnc2c1ccc(c2)Cl)CCO.OS(=O)(=O)O
Active 3.2% (3/93)
XC50 = 0.76 uM
Score 4
83
6/19/2013 14:34:44Participant 1TCMDC-125260263Compound code: TCMDC-125260
Pass Rule of 3: N
Pass Rule of 5: Y
MedChem Friendly: Y
SMILES code: c1ccc2c(c1)c(n[nH]c2=O)CC(=O)Nc3cccc(c3)C(=O)Nc4cccc(c4)C(F)(F)F
Active 33%
XC50 = 0.17 uM
Score 3
84
6/19/2013 14:37:43Participant 1TCMDC-132728262Compound code: TCMDC-132728
Pass Rule of 3: N
Pass Rule of 5: N
MedChem Friendly: Y
SMILES code: COc1ccc(cc1)CNCc2cccc(c2)c3cccc(c3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O
Active 33% (2/6)
XC50 = 0.2 uM
Score 2
85
6/19/2013 14:42:21Participant 1TCMDC-131900261Compound code: TCMDC-131900
Pass Rule of 3: N
Pass Rule of 5: N
MedChem Friendly: Y
SMILES code: COc1ccc(cc1S(=O)(=O)N)CCN2CC[C@@H](C2)CNc3c4ccccc4nc(n3)c5ccccc5.C(=O)(C(F)(F)F)O
Active 33% (2/6)
No XC50 value reported
Score 1
86
6/19/2013 14:46:34Participant 1TCMDC-136592263Compound code: TCMDC-136592
Pass Rule of 3: N
Pass Rule of 5: Y
MedChem Friendly: Y
SMILES code: Cc1cccc(c1)Nc2nccc(n2)NCC(c3ccc(cc3)C(F)(F)F)O
Active 33% (2/6)
Xc50_3D7 = 0.56 uM
Score 3
87
6/19/2013 14:50:23Participant 1TCMDC-138311262Compound code: TCMDC-138311
Pass Rule of 3: N
Pass Rule of 5: N
MedChem Friendly: Y
SMILES code: COc1ccc(c(c1)C2CCN(CC2)CCCCNC(=O)c3ccc(cc3)NC(=O)c4ccc(cc4)Cl)OCc5ccccn5.Cl
Active 33% (2/6)
XC50_3D7 = 0.76
Score 2
88
6/19/2013 14:54:41Participant 1TCMDC-1242921113Compound code: TCMDC-124292
Pass Rule of 3: N
Pass Rule of 5: N
MedChem Friendly: Y
SMILES code: CCN(CC)CCCC(C)Nc1c2ccccc2nc3c1cccc3.Cl
Active 9% (1/11)
XC50_3D7 = 0.72 uM
Score 3
89
6/19/2013 14:58:50Participant 1TCMDC-134244164Compound code: TCMDC-134244
Pass Rule of 3: N
Pass Rule of 5: Y
MedChem Friendly: Y
SMILES code: CC[C@H](C)CNC(=O)c1ccnc(c1)c2cccc(c2)CN3CCC(CC3)N4CCCC4.C(=O)(C(F)(F)F)O
Active 16% (1/6)
XC50_3D7 = 0.85 uM
Score 4
90
6/19/2013 15:03:01Participant 1TCMDC-132318261Compound code: TCMDC-132318
Pass Rule of 3: N
Pass Rule of 5: N
MedChem Friendly: Y
SMILES code: c1cc(cc(c1)C(=O)NCCN2CCCC2)c3ccc(s3)c4[nH]c5ccc(cc5n4)F
Active 33% (2/6)
XC50_3D7 = 1.53 uM
Score 1
91
6/19/2013 15:06:36Participant 1TCMDC-139912163Compound code: TCMDC-139912
Pass Rule of 3: N
Pass Rule of 5: Y
MedChem Friendly: N
SMILES code: c1ccc(c(c1)C=CC(=O)N2CCC(CC2)CN3CCC(CC3)c4c[nH]c5c4cccc5)O
Active 16% (1/6)
XC50_3D7 = 0.96 uM
Score 3
92
6/19/2013 15:12:05Participant 1TCMDC-141257000Compound code: TCMDC-141257
Pass Rule of 3: N
Pass Rule of 5: N
MedChem Friendly: N
SMILES code: COc1cc(ccc1OCCN2CCCCC2)c3[nH]c(c(n3)c4ccc5c(c4)CCC5=NO)c6ccncc6.Cl

does not generate any structure.
score 0
93
6/19/2013 15:16:09Participant 1TCMDC-124706164Compound code: TCMDC-124706
Pass Rule of 3: N
Pass Rule of 5: Y
MedChem Friendly: Y
SMILES code: Cc1cc(nc(n1)Nc2ccc(cc2)NC(=O)c3ccccc3OC)N4CCOCC4
Active 16% (1/6)
XC50_3D7 = 0.53 uM
Score 4
94
6/19/2013 15:19:29Participant 1TCMDC-137431262Compound code: TCMDC-137431
Pass Rule of 3: N
Pass Rule of 5: Y
MedChem Friendly: N
SMILES code: CCCCCCCCc1c(nc(c(c1O)C#N)C)C
Active 33% (2/6)
XC50_3D7 = 0.4 uM
Score 2
95
6/19/2013 15:22:41Participant 1TCMDC-140972163Compound code: TCMDC-140972
Pass Rule of 3: N
Pass Rule of 5: Y
MedChem Friendly: Y
SMILES code: COc1ccc2c(c1)c(ccn2)[C@H](CN3CCC(CC3)NCc4cc5ccccc5nn4)O.C(=O)(C(=O)O)O
Active 16% (1/6)
XC50_3D7 = 1.2 uM
Score 3
96
6/19/2013 15:44:43Participant 1TCMDC-12583831013653Compound code: TCMDC-125838 (Cycloheximide)
Pass Rule of 3: N
Pass Rule of 5: Y
MedChem Friendly: Y
SMILES code: C[C@H]1C[C@@H](C(=O)[C@@H](C1)[C@@H](CC2CC(=O)NC(=O)C2)O)C
Active 22% (310/1365)
EC50 = 0.1135 (P. falciparum 3D7)
XC50_3D7 = 0.53
Score 3
97
6/19/2013 15:48:43Participant 1TCMDC-139361263Compound code: TCMDC-139361
Pass Rule of 3: N
Pass Rule of 5: Y
MedChem Friendly: Y
SMILES code: Cc1cc(ccc1Br)NC(=O)Nc2ccc3c(c2)c(ccn3)N4CCN(CC4)C
Active 33% (2/6)
XC50_3D7 = 0.09 uM
Score 3
98
6/19/2013 15:52:17Participant 1TCMDC-139066262Compound code: TCMDC-139066
Pass Rule of 3: N
Pass Rule of 5: N
MedChem Friendly: Y
SMILES code: CNc1c2cc(ccc2nc3c1CCCC3)NC(=O)CCCCCCc4ccccc4.Cl
Active 33% (2/6)
XC50_3D7 = 0.92 uM
Score 2
99
6/19/2013 15:55:51Participant 1TCMDC-135745162Compound code: TCMDC-135745
Pass Rule of 3: N
Pass Rule of 5: N
MedChem Friendly: N
SMILES code: c1cc(cc(c1)F)NC(=O)N2CCCN(CC2)CCCCCNC(=O)/C=C/c3ccc(c(c3)Cl)Cl
Active 16% (1/6)
XC50_3D7 = 0.76 uM
Score 2
100
6/19/2013 15:59:18Participant 1TCMDC-141450162Compound code: TCMDC-141450
Pass Rule of 3: N
Pass Rule of 5: N
MedChem Friendly: Y
SMILES code: c1ccc(cc1)OCC(=O)N(Cc2ccc(cc2)c3ccc(cc3)CNC4Cc5ccccc5C4)C6CCNCC6.C(=O)(C(F)(F)F)O
Active 16% (1/6)
XC50_3D7 = 1.02 uM
Score 2
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