HMS LINCS ID: 10068-101

Name: Vemurafenib

Alternative Names: PLX4032; RG7204; R7204; RO5185426

LINCS ID: LSM-1068

PubChem CID: 42611257

ChEBI ID:

ChEMBL ID:

Molecular Mass: 489.07

InChi: InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)

InChi Key: GPXBXXGIAQBQNI-UHFFFAOYSA-N

SMILES: CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=NC=C(C=C23)C4=CC=C(C=C4)Cl)F

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10067-101

Name: Barasertib

Alternative Names: AZD1152-HQPA

LINCS ID: LSM-1067

PubChem CID: 16007391

ChEBI ID:

ChEMBL ID: 215152

Molecular Mass: 507.24

InChi: InChI=1S/C26H30FN7O3/c1-2-34(10-11-35)9-4-12-37-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(36)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17,35H,2,4,9-12,15H2,1H3,(H,30,36)(H2,28,29,31,32,33)

InChi Key: QYZOGCMHVIGURT-UHFFFAOYSA-N

SMILES: CCN(CCCOC1=CC2=C(C=C1)C(=NC=N2)NC3=NNC(=C3)CC(=O)NC4=CC(=CC=C4)F)CCO

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10066-101

Name: MLN8054

Alternative Names:

LINCS ID: LSM-1066

PubChem CID: 11712649

ChEBI ID:

ChEMBL ID: 259084

Molecular Mass: 476.09

InChi: InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)

InChi Key: HHFBDROWDBDFBR-UHFFFAOYSA-N

SMILES: C1C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)C(=N1)C4=C(C=CC=C4F)F)NC5=CC=C(C=C5)C(=O)O

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10065-101

Name: KIN001-220

Alternative Names: Genentech 10

LINCS ID: LSM-1065

PubChem CID: 44139710

ChEBI ID:

ChEMBL ID:

Molecular Mass: 587.22

InChi: InChI=1S/C31H31ClFN7O2/c1-2-39-15-17-40(18-16-39)28(41)19-21-7-11-24(12-8-21)36-31-34-20-26(33)29(38-31)35-23-13-9-22(10-14-23)30(42)37-27-6-4-3-5-25(27)32/h3-14,20H,2,15-19H2,1H3,(H,37,42)(H2,34,35,36,38)

InChi Key: AKSIZPIFQAYJGF-UHFFFAOYSA-N

SMILES: CCN1CCN(CC1)C(=O)CC2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5Cl)F

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10064-101

Name: WYE-125132

Alternative Names:

LINCS ID: LSM-1064

PubChem CID: 25260757

ChEBI ID:

ChEMBL ID:

Molecular Mass: 519.26

InChi: InChI=1S/C27H33N7O4/c1-28-26(35)30-18-4-2-17(3-5-18)23-31-24(33-15-20-6-7-21(16-33)38-20)22-14-29-34(25(22)32-23)19-8-10-27(11-9-19)36-12-13-37-27/h2-5,14,19-21H,6-13,15-16H2,1H3,(H2,28,30,35)

InChi Key: QLHHRYZMBGPBJG-UHFFFAOYSA-N

SMILES: CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10063-102

Name: OSI-027

Alternative Names:

LINCS ID: LSM-1063

PubChem CID: 56965966

ChEBI ID:

ChEMBL ID:

Molecular Mass: 406.18

InChi: InChI=1S/C21H22N6O3/c1-30-15-4-2-3-13-9-14(25-16(13)15)17-18-19(22)23-10-24-27(18)20(26-17)11-5-7-12(8-6-11)21(28)29/h2-4,9-12H,5-8,22H2,1H3,(H,23,24)(H,28,29)

InChi Key: CDNMDRUIGNHEMR-UHFFFAOYSA-N

SMILES: COC1=CC=CC2=CC(=C3C4=C(N=CNN4C(=N3)C5CCC(CC5)C(=O)O)N)N=C21

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10062-101

Name: GSK1070916

Alternative Names: KIN001-216

LINCS ID: LSM-1062

PubChem CID: 46885626

ChEBI ID:

ChEMBL ID: 1090479

Molecular Mass: 507.27

InChi: InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38)

InChi Key: QTBWCSQGBMPECM-UHFFFAOYSA-N

SMILES: CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC(=CC=C5)CN(C)C

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10061-101

Name: NU7441

Alternative Names: KU 57788

LINCS ID: LSM-1061

PubChem CID: 11327430

ChEBI ID:

ChEMBL ID: 188678

Molecular Mass: 413.11

InChi: InChI=1S/C25H19NO3S/c27-21-15-23(26-11-13-28-14-12-26)29-24-17(6-3-9-20(21)24)19-8-4-7-18-16-5-1-2-10-22(16)30-25(18)19/h1-10,15H,11-14H2

InChi Key: JAMULYFATHSZJM-UHFFFAOYSA-N

SMILES: C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10060-101

Name: TAK-715

Alternative Names:

LINCS ID: LSM-1060

PubChem CID: 9952773

ChEBI ID:

ChEMBL ID:

Molecular Mass: 399.14

InChi: InChI=1S/C24H21N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,26,28)

InChi Key: HEKAIDKUDLCBRU-UHFFFAOYSA-N

SMILES: CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC(=CC=C4)C

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10059-101

Name: AZD-6482

Alternative Names: KIN001-193

LINCS ID: LSM-1059

PubChem CID: 44137675

ChEBI ID:

ChEMBL ID:

Molecular Mass: 408.18

InChi: InChI=1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/t15-/m1/s1

InChi Key: IRTDIKMSKMREGO-OAHLLOKOSA-N

SMILES: CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04