Submission Details
Molecule(s):
c1ccc(-c2cc(Sc3nnc(-c4ccncc4)n3-c3ccccc3)n3ncnc3n2)cc1
c1ccc(-c2cc(Sc3nnc(-c4ccncc4)o3)n3ncnc3n2)cc1
Cc1ccccc1-c1nc2scc(CCNS(=O)(=O)CCc3ccccc3)n2n1
O=C(CSc1nc2ccccc2o1)NCCSCc1ccco1
c1ccc2sc(-c3ccc(CNc4ccc5nnnn5n4)o3)nc2c1
Cc1ccc(-c2nc(NC(=O)c3cc4ccccc4o3)sc2C)cc1
COC(=O)/C=C1\SC(c2ccccc2)=NC1=O
CC1=N/C(=C\c2sccc2C)C(=O)O1
COc1cccc(C2=N/C(=C/c3sccc3C)C(=O)O2)c1
COc1cccc(C(=O)Nc2n[nH]c(SCc3ccc(Cl)cc3)n2)c1
COc1cc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)c(Br)c(OC)c1OC
COc1ccc(C(=O)Nc2nc(CC(=O)Nc3ccc(Cl)c(Cl)c3)cs2)cc1
O=c1oc(Nc2ccccc2)nc2ccccc12
CSc1ccccc1C(=O)Nc1nc(=O)c2ccccc2[nH]1
O=c1[nH]c(Nc2ccccc2)nc2nccc(-c3ccncc3)c12
O=C(Oc1ccc2c(c1)OCC2=O)c1cccs1
O=C(Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)c1ccco1
O=C(Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc2c1)c1ccco1
Cc1cc(C)cc(Oc2c(C(F)(F)F)oc3cc(OC(=O)c4ccco4)ccc3c2=O)c1
CC(=O)c1c(OC(=O)c2ccco2)ccc2c(C)cc(=O)oc12
Cc1cc(C)c(C)c(Oc2coc3cc(OC(=O)c4ccco4)ccc3c2=O)c1
CCc1cc(=O)oc2c(C)c(OCC(=O)OC)ccc12
COC(=O)COc1ccc2c(=O)c(-c3csc(C)n3)coc2c1
CCc1cc(=O)oc2cc(OCC(=O)OC)c(Cl)cc12
O=C(c1ccc(Cl)cn1)N1C[C@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1C2
CN1CCCCCCN(Cc2cccnc2)[C@H]2CCC[C@H]2C1=O
Cc1ccc(CNC(=O)N2CCCOCCNC(=O)[C@@H]3CCC[C@@H]32)cc1
CCn1ncnc1C(C)NC(=O)C(=O)c1cccn1C
CC(C)CC(NC(=O)c1cnn2ccccc12)c1ncnn1C
CC(C)CC(NC(=O)c1cnn2c1CCCC2)c1ncnn1C
O=C(NC(Cn1ccnc1)c1ccccc1)c1cccc2ccnn12
CCCCOC(=O)N1CCCC(c2nn(C)c(=O)n2CC)C1
CCn1c(C2CCCN(Cc3cnn4c(C)cc(C)nc34)C2)nn(C)c1=O
Cc1ccc(-c2cn[nH]c2C2CCCN(C(=O)C3(Cn4ccnc4)CC3)C2)cc1
Cc1onc(-c2ccccc2)c1C(=O)N(Cc1nccn1C)C1CC1
Cc1c(C(=O)N2CCc3[nH]nc(-c4ccccc4)c3C2)cnc2cc(=O)[nH]n12
Cc1ccc2c(-c3cc4c(n(CC5CC5)c3=O)CCN(C(=O)Cc3c(C)noc3C)C4)cccc2n1
CC(C)CN1CC(C(=O)N2CCc3nc(N)sc3C2)CC1=O
CCn1c(CC2CCN(Cc3cc(C(C)C)no3)CC2)n[nH]c1=O
Cc1nn(C)c(Cl)c1CN1CCN(c2nnc(C(F)(F)F)s2)CC1
CCc1cn[nH]c1C1CCN(C(=O)c2cc(C(C)=O)c(C)[nH]c2=O)CC1
O=C1CC2(CCCCC2)C(=O)N1Cc1nc(=O)c2ccsc2[nH]1
Cc1oc(C2CCN(C(=O)CC3CCCCC3)CC2)nc1C(=O)N(C)C
CN1CCN(c2nc3c(c(=O)[nH]2)CCN(Cc2ccc(Br)o2)CC3)CC1
O=C(Cc1ccsc1)N1CCN(c2cc(-c3cccs3)n[nH]2)CC1
O=C1NCCN(C(=O)c2cnn[nH]2)C1Cc1ccccc1
O=C(NC1CCCCC1)N1CCCCC1c1nnc(-c2cnccn2)[nH]1
CCCNC(=O)N1CCCCC1c1nnc(C2CC2)[nH]1
CCCCc1nc(-c2nccn2CC(F)(F)F)c[nH]1
c1cn(Cc2ccsc2)c(-c2c[nH]cn2)n1
CCCCc1nc(-c2nccn2CCN(C)C)c[nH]1
CCCCc1nc(-c2nccn2CCc2ccccn2)c[nH]1
CCCCc1nc(-c2nccn2Cc2ccoc2)c[nH]1
CCCCc1nc(-c2nccn2CCc2c[nH]cn2)c(Cl)[nH]1
CCCCc1nc(-c2nccn2CCc2c(C)n[nH]c2C)c[nH]1
CN(C)Cc1csc(-c2nccn2Cc2ccsc2)c1
COc1cc(Cl)c(C)cc1-n1ccnc1-c1cccnc1
COc1cccc(-c2nccn2-c2cccc(-c3nnc(C)s3)c2)c1OC
COc1cccc(-c2nccn2-c2ccc(-c3nnc(C)[nH]3)cc2)c1OC
CCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1ccnc(OC)c1
O=C([C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)CCC1CCCC1)N1CCCC1
CC(C)CC(C(=O)NCc1ccc(CN2CCOCC2)o1)N1Cc2ccccc2C1=O
Cc1ccc(C(=O)N2C[C@@H](Oc3cccnc3)C[C@H]2C(=O)N2CCCC2)cn1
CC(C)Cc1cc(-c2nc3c([nH]2)CC(C)(C)CNC3=O)on1
CC1(C)CNC(=O)c2nc(CC3=CCCCC3)[nH]c2C1
CC(C)Cc1nc(-c2nc3c([nH]2)CC(C)(C)CNC3=O)no1
CC1(C)CNC(=O)c2nc(CCNc3cccnc3)[nH]c2C1
CSCc1noc(-c2nc3c([nH]2)CC(c2ccc(F)cc2)CNC3=O)n1
COc1cc(-c2nccn2CCO)c(OC)cc1SC
COc1cc2c(cc1-c1nccn1CCc1cccc(F)c1)OCO2
COc1cc(-c2nccn2Cc2cccc3[nH]ccc23)cc2c1OCO2
CCCCc1nc(-c2nccn2Cc2ccncc2)c[nH]1
CCCCc1nc(CN(C)Cc2cccc3ncccc23)c[nH]1
CCCCc1nc(-c2nccn2C(C)c2ccc(C)nc2)c[nH]1
CCCCc1nc(-c2c(-c3ccccc3)ncn2Cc2ccncc2)c[nH]1
CCn1nc(C(=O)N2CCN(c3ccccc3)CC2)c2c1CCN(C(=O)c1ccc3ccccc3c1)C2
CC(C)c1cc(C(=O)N2CCc3nc(N)sc3C2)n(C)n1
CC(NC(=O)Cn1nnnc1CN1CCCCCC1)c1cnn(-c2ccccc2)c1
CCn1ccc(C(=O)N2CCCn3nc(-c4ccc(OC)cc4)cc3C2)n1
Fc1ccccc1C1c2[nH]c3ccccc3c2CCN1Cc1cnc(N2CCOCC2)s1
CC(C)n1cc(C2c3[nH]c4ccccc4c3CCN2Cc2cnc(N3CCCC3)s2)cn1
MAT-POS-ea426761-82
Duplicate of:
LON-WEI-ff7b210a-8
NC1=Nc2nc3ccccc3n2C(c2ccc(-c3nc4ccccc4s3)o2)N1
CC(=O)N1CCc2c(nc(-c3ccncc3)nc2NC(C)c2ncc[nH]2)C1
CC(=O)N1CCc2c(nc(-c3ccccn3)nc2NCCn2cccn2)C1
CC(=O)N1CCc2c(nc(-c3ccccn3)nc2NCCc2ccc(F)cc2)C1
Cc1nn(C)cc1-c1c(-c2ccccc2)ncn1CCNC(=O)c1ccncc1
CCn1ccnc1-c1c(-c2ccccc2)ncn1CCSc1nccn1C
CN(Cc1n[nH]c2c1CCCCC2)C(=O)c1csc2nc(-c3ccccc3)cn12
CC(=O)N1CCC(Cn2ccnc2-c2cc3ccccc3s2)CC1
O=C(NCCCN1CCCCC1)C1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1
Cc1cc(N2CCC(C(=O)N3CCCC3)CC2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1
NC(=O)C1CCN(C(=O)CSc2nc(-c3ccccc3)n(-c3nc4ccccc4s3)n2)CC1
CN(CCCN1c2ccccc2CCc2ccccc21)C(=O)c1cnn[nH]1
Nc1nc2c(s1)CN(C(=O)CCc1c[nH]c3ccccc13)CC2
O=C(Cn1ccc2c(Cl)cccc21)N1CCc2[nH]c3ccccc3c2C1
CC(C)C1CN(C(=O)c2onc3ccccc23)CCCN1CC1CC1
CN1[C@H]2CC[C@@H]1CN(Cc1c(C(=O)N3CCCC3)nc3ccccn13)CC2
CN(Cc1ccccc1)C1CCCN(C(=O)Cn2nc3ccccc3n2)C1
Cc1nn(C)c(C)c1CCC(=O)N1CC(N(CC(C)C)C2CCN(C)CC2)C1
CN(Cc1nc2ccccc2n1C)C(=O)c1cnc(-c2cccnc2)nc1
CCn1c(Cn2cccn2)nc2cc(NC(C)=O)ccc21
Cc1cc(N2CCn3c(nc4ccccc43)C2)ccc1N
Cc1nnc2c(=S)[nH]c3ccccc3n12
Cn1nc(C(C)(C)C)c2c1NC(=O)CC2c1ccc2cccc(O)c2n1
Cn1nc(-c2cccnc2)c2c1NC(=O)CC2c1ccc2cccc(O)c2n1
Cn1nc(C(C)(C)C)c2c1NC(=O)CC2c1ccc(S(C)(=O)=O)cc1
CCNc1nc(C)c(C(=O)N2CCC3(CC2)C(=O)N(C)c2ccccc23)s1
Design Rationale:
First set of compounds from Weizmann HTS screen chosen for follow up IC50 measurements by Ed Griffen. These compounds all showed good single-shot inhibition in two different measurements.