HMS LINCS ID: 10340-101

Name: HG-9-91-01

Alternative Names:

LINCS ID:

PubChem CID: 78357808

ChEBI ID:

ChEMBL ID:

Molecular Mass: 567.30

InChi: InChI=1S/C32H37N7O3/c1-22-7-6-8-23(2)31(22)36-32(40)39(27-14-13-26(41-4)19-28(27)42-5)30-20-29(33-21-34-30)35-24-9-11-25(12-10-24)38-17-15-37(3)16-18-38/h6-14,19-21H,15-18H2,1-5H3,(H,36,40)(H,33,34,35)

InChi Key: UYUHRKLITDJEHB-UHFFFAOYSA-N

SMILES: COC1=CC=C(N(C(=O)NC2=C(C)C=CC=C2C)C2=CC(NC3=CC=C(C=C3)N3CCN(C)CC3)=NC=N2)C(OC)=C1

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-07-12

HMS LINCS ID: 10338-101

Name: Ipatasertib

Alternative Names: GDC 0068; GDC-0068; GDC0068; RG 7440; RG-7440; RG7440

LINCS ID: LSM-6341

PubChem CID: 24788740

ChEBI ID:

ChEMBL ID:

Molecular Mass: 457.22

InChi: InChI=1S/C24H32ClN5O2/c1-15(2)26-13-19(17-4-6-18(25)7-5-17)24(32)30-10-8-29(9-11-30)23-21-16(3)12-20(31)22(21)27-14-28-23/h4-7,14-16,19-20,26,31H,8-13H2,1-3H3/t16-,19-,20-/m1/s1

InChi Key: GRZXWCHAXNAUHY-NSISKUIASA-N

SMILES: C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2017-05-12

HMS LINCS ID: 10337-102

Name: OTSSP167

Alternative Names:

LINCS ID: LSM-6340

PubChem CID: 71543332

ChEBI ID:

ChEMBL ID:

Molecular Mass: 486.16

InChi: InChI=1S/C25H28Cl2N4O2/c1-14(32)18-12-28-22-9-8-21(16-10-19(26)25(33)20(27)11-16)30-24(22)23(18)29-17-6-4-15(5-7-17)13-31(2)3/h8-12,15,17,30H,4-7,13H2,1-3H3,(H,28,29)

InChi Key: WZJUACDPTWDYSI-UHFFFAOYSA-N

SMILES: CC(=O)C1=CN=C2C=CC(=C3C=C(C(=O)C(=C3)Cl)Cl)NC2=C1NC4CCC(CC4)CN(C)C

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10289-101

Name: AZD4547

Alternative Names:

LINCS ID: LSM-6308

PubChem CID: 51039095

ChEBI ID:

ChEMBL ID:

Molecular Mass: 463.26

InChi: InChI=1S/C26H33N5O3/c1-17-15-31(16-18(2)27-17)22-9-6-20(7-10-22)26(32)28-25-13-21(29-30-25)8-5-19-11-23(33-3)14-24(12-19)34-4/h6-7,9-14,17-18,27H,5,8,15-16H2,1-4H3,(H2,28,29,30,32)/t17-,18+

InChi Key: VRQMAABPASPXMW-HDICACEKSA-N

SMILES: C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10288-101

Name: SGI-1776

Alternative Names:

LINCS ID: LSM-6307

PubChem CID: 24795070

ChEBI ID:

ChEMBL ID:

Molecular Mass: 405.18

InChi: InChI=1S/C20H22F3N5O/c1-27-9-7-14(8-10-27)12-24-18-5-6-19-25-13-17(28(19)26-18)15-3-2-4-16(11-15)29-20(21,22)23/h2-6,11,13-14H,7-10,12H2,1H3,(H,24,26)

InChi Key: MHXGEROHKGDZGO-UHFFFAOYSA-N

SMILES: CN1CCC(CC1)CNC2=NN3C(=NC=C3C4=CC(=CC=C4)OC(F)(F)F)C=C2

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10287-101

Name: Dinaciclib

Alternative Names: SCH727965

LINCS ID: LSM-6306

PubChem CID: 46926350

ChEBI ID:

ChEMBL ID:

Molecular Mass: 396.23

InChi: InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1

InChi Key: PIMQWRZWLQKKBJ-SFHVURJKSA-N

SMILES: CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10286-102

Name: BS-181

Alternative Names:

LINCS ID: LSM-6305

PubChem CID: 49867929

ChEBI ID:

ChEMBL ID:

Molecular Mass: 380.27

InChi: InChI=1S/C22H32N6/c1-17(2)19-16-26-28-21(25-15-18-10-6-5-7-11-18)14-20(27-22(19)28)24-13-9-4-3-8-12-23/h5-7,10-11,14,16-17,25H,3-4,8-9,12-13,15,23H2,1-2H3,(H,24,27)

InChi Key: DNYBIOICMDTDAP-UHFFFAOYSA-N

SMILES: CC(C)C1=C2N=C(C=C(N2N=C1)NCC3=CC=CC=C3)NCCCCCCN

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10285-101

Name: PHA-767491

Alternative Names:

LINCS ID: LSM-6304

PubChem CID: 11715767

ChEBI ID:

ChEMBL ID:

Molecular Mass: 213.09

InChi: InChI=1S/C12H11N3O/c16-12-9-7-11(8-1-4-13-5-2-8)15-10(9)3-6-14-12/h1-2,4-5,7,15H,3,6H2,(H,14,16)

InChi Key: DKXHSOUZPMHNIZ-UHFFFAOYSA-N

SMILES: C1CNC(=O)C2=C1NC(=C2)C3=CC=NC=C3

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10284-101

Name: Dabrafenib

Alternative Names: GSK2118436

LINCS ID: LSM-6303

PubChem CID: 44462760

ChEBI ID:

ChEMBL ID:

Molecular Mass: 519.10

InChi: InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29)

InChi Key: BFSMGDJOXZAERB-UHFFFAOYSA-N

SMILES: CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10235-101

Name: Everolimus

Alternative Names: RAD001

LINCS ID: LSM-4258

PubChem CID: 53398658

ChEBI ID:

ChEMBL ID:

Molecular Mass: 957.58

InChi: InChI=1S/C53H83NO14/c1-32-16-12-11-13-17-33(2)44(63-8)30-40-21-19-38(7)53(62,68-40)50(59)51(60)54-23-15-14-18-41(54)52(61)67-45(35(4)28-39-20-22-43(66-25-24-55)46(29-39)64-9)31-42(56)34(3)27-37(6)48(58)49(65-10)47(57)36(5)26-32/h11-13,16-17,27,32,34-36,38-41,43-46,48-49,55,58,62H,14-15,18-26,28-31H2,1-10H3

InChi Key: HKVAMNSJSFKALM-UHFFFAOYSA-N

SMILES: CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OCCO)C)C)O)OC)C)C)C)OC

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04