HMS LINCS ID: 10144-101

Name: Olaparib

Alternative Names: AZD2281; KU-0059436

LINCS ID: LSM-1145

PubChem CID: 23725625

ChEBI ID:

ChEMBL ID:

Molecular Mass: 434.18

InChi: InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)

InChi Key: FDLYAMZZIXQODN-UHFFFAOYSA-N

SMILES: C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10142-101

Name: Trametinib

Alternative Names: GSK-1120212; GSK1120212; GSK1120212B; JTP-74057

LINCS ID: LSM-1143

PubChem CID: 11707110

ChEBI ID:

ChEMBL ID:

Molecular Mass: 615.08

InChi: InChI=1S/C26H23FIN5O4/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34)

InChi Key: LIRYPHYGHXZJBZ-UHFFFAOYSA-N

SMILES: CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC(=CC=C4)NC(=O)C)C5CC5

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-05-06

HMS LINCS ID: 10135-101

Name: Linsitinib

Alternative Names: OSI 906

LINCS ID: LSM-1135

PubChem CID: 11640390

ChEBI ID:

ChEMBL ID: 1091644

Molecular Mass: 421.19

InChi: InChI=1S/C26H23N5O/c1-26(32)14-19(15-26)25-30-22(23-24(27)28-11-12-31(23)25)18-8-7-17-9-10-20(29-21(17)13-18)16-5-3-2-4-6-16/h2-13,19,32H,14-15H2,1H3,(H2,27,28)

InChi Key: PKCDDUHJAFVJJB-UHFFFAOYSA-N

SMILES: CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10134-101

Name: GSK1904529A

Alternative Names:

LINCS ID: LSM-1134

PubChem CID: 25124816

ChEBI ID:

ChEMBL ID: 466397

Molecular Mass: 851.34

InChi: InChI=1S/C44H47F2N9O5S/c1-5-28-26-35(38(60-3)27-36(28)53-19-15-30(16-20-53)52-21-23-54(24-22-52)61(4,57)58)49-44-47-17-14-34(48-44)42-40(50-39-11-6-7-18-55(39)42)29-12-13-37(59-2)31(25-29)43(56)51-41-32(45)9-8-10-33(41)46/h6-14,17-18,25-27,30H,5,15-16,19-24H2,1-4H3,(H,51,56)(H,47,48,49)

InChi Key: MOSKATHMXWSZTQ-UHFFFAOYSA-N

SMILES: CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10132-101

Name: SNS-032

Alternative Names: BMS-387032

LINCS ID: LSM-1132

PubChem CID: 3025986

ChEBI ID:

ChEMBL ID:

Molecular Mass: 380.13

InChi: InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)

InChi Key: OUSFTKFNBAZUKL-UHFFFAOYSA-N

SMILES: CC(C)(C)C1=CN=C(O1)CSC2=CN=C(S2)NC(=O)C3CCNCC3

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-07-12

HMS LINCS ID: 10128-101

Name: GSK 690693

Alternative Names:

LINCS ID: LSM-1128

PubChem CID: 16048642

ChEBI ID:

ChEMBL ID:

Molecular Mass: 425.22

InChi: InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,22,27)

InChi Key: KGPGFQWBCSZGEL-UHFFFAOYSA-N

SMILES: CCN1C2=C(C(=NC=C2OCC3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10096-101

Name: ZM-447439

Alternative Names:

LINCS ID: LSM-1096

PubChem CID: 9914412

ChEBI ID:

ChEMBL ID:

Molecular Mass: 513.24

InChi: InChI=1S/C29H31N5O4/c1-36-26-18-24-25(19-27(26)38-15-5-12-34-13-16-37-17-14-34)30-20-31-28(24)32-22-8-10-23(11-9-22)33-29(35)21-6-3-2-4-7-21/h2-4,6-11,18-20H,5,12-17H2,1H3,(H,33,35)(H,30,31,32)

InChi Key: OGNYUTNQZVRGMN-UHFFFAOYSA-N

SMILES: COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10047-101

Name: Pictilisib

Alternative Names: Picdivelisib; GDC-0941; RG-7321

LINCS ID: LSM-1047

PubChem CID: 17755052

ChEBI ID:

ChEMBL ID: 521851

Molecular Mass: 513.16

InChi: InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)

InChi Key: LHNIIDJUOCFXAP-UHFFFAOYSA-N

SMILES: CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-12-20

HMS LINCS ID: 10034-101

Name: AS601245

Alternative Names: JNK Inhibitor V

LINCS ID: LSM-1034

PubChem CID: 10109823

ChEBI ID:

ChEMBL ID: 191384

Molecular Mass: 372.12

InChi: InChI=1S/C20H16N6S/c21-12-15(19-25-17-5-1-2-6-18(17)27-19)16-8-11-24-20(26-16)23-10-7-14-4-3-9-22-13-14/h1-6,8-9,11,13,15H,7,10H2,(H,23,24,26)

InChi Key: RCYPVQCPYKNSTG-UHFFFAOYSA-N

SMILES: C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10032-101

Name: Saracatinib

Alternative Names: AZD0530

LINCS ID: LSM-1032

PubChem CID: 10302451

ChEBI ID:

ChEMBL ID: 217092

Molecular Mass: 541.21

InChi: InChI=1S/C27H32ClN5O5/c1-32-6-8-33(9-7-32)10-13-35-19-14-21-24(23(15-19)38-18-4-11-34-12-5-18)27(30-16-29-21)31-25-20(28)2-3-22-26(25)37-17-36-22/h2-3,14-16,18H,4-13,17H2,1H3,(H,29,30,31)

InChi Key: OUKYUETWWIPKQR-UHFFFAOYSA-N

SMILES: CN1CCN(CC1)CCOC2=CC(=C3C(=C2)N=CN=C3NC4=C(C=CC5=C4OCO5)Cl)OC6CCOCC6

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04