HMS LINCS ID: 10345-111

Name: Torkinib

Alternative Names: PP242

LINCS ID: LSM-6357

PubChem CID: 57347681

ChEBI ID:

ChEMBL ID:

Molecular Mass: 308.14

InChi: InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,21,23H,1-2H3,(H2,17,18,19)

InChi Key: MTICIDWIKCANDD-UHFFFAOYSA-N

SMILES: CC(C)N1C2=C(C(=C3C=C4C=C(C=CC4=N3)O)N1)C(=NC=N2)N

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-08-17

HMS LINCS ID: 10175-106

Name: Sunitinib

Alternative Names: Sutent; SU11248

LINCS ID: LSM-1176

PubChem CID: 3086686

ChEBI ID:

ChEMBL ID: 535

Molecular Mass: 398.21

InChi: InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)

InChi Key: WINHZLLDWRZWRT-UHFFFAOYSA-N

SMILES: CCN(CC)CCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)F)NC2=O)C

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10171-101

Name: TGX221

Alternative Names:

LINCS ID: LSM-1172

PubChem CID: 9907093

ChEBI ID:

ChEMBL ID:

Molecular Mass: 364.19

InChi: InChI=1S/C21H24N4O2/c1-15-12-18(16(2)22-17-6-4-3-5-7-17)21-23-19(13-20(26)25(21)14-15)24-8-10-27-11-9-24/h3-7,12-14,16,22H,8-11H2,1-2H3

InChi Key: CPRAGQJXBLMUEL-UHFFFAOYSA-N

SMILES: CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10110-101

Name: FR180204

Alternative Names: FR 180204; KIN001-230

LINCS ID: LSM-1110

PubChem CID: 11493598

ChEBI ID:

ChEMBL ID:

Molecular Mass: 327.12

InChi: InChI=1S/C18H13N7/c19-17-12-10-13(20-22-18(12)23-21-17)15-14-8-4-5-9-25(14)24-16(15)11-6-2-1-3-7-11/h1-10H,(H3,19,21,22,23)

InChi Key: XVECMUKVOMUNLE-UHFFFAOYSA-N

SMILES: C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-05-06

HMS LINCS ID: 10102-101

Name: Taxol

Alternative Names: Paclitaxel

LINCS ID: LSM-1102

PubChem CID: 441276

ChEBI ID:

ChEMBL ID: 428647

Molecular Mass: 853.33

InChi: InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38?,40-,45+,46-,47+/m0/s1

InChi Key: RCINICONZNJXQF-VAZQATRQSA-N

SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C

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: 10052-101

Name: Sirolimus

Alternative Names: Rapamycin

LINCS ID: LSM-1052

PubChem CID: 5040

ChEBI ID:

ChEMBL ID: 413

Molecular Mass: 913.56

InChi: InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3

InChi Key: QFJCIRLUMZQUOT-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)O)C)C)O)OC)C)C)C)OC

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10026-101

Name: PD173074

Alternative Names:

LINCS ID: LSM-1026

PubChem CID: 1401

ChEBI ID:

ChEMBL ID: 189584

Molecular Mass: 523.33

InChi: InChI=1S/C28H41N7O3/c1-8-35(9-2)13-11-10-12-29-26-30-18-20-16-23(19-14-21(37-6)17-22(15-19)38-7)25(31-24(20)32-26)33-27(36)34-28(3,4)5/h14-18H,8-13H2,1-7H3,(H3,29,30,31,32,33,34,36)

InChi Key: DXCUKNQANPLTEJ-UHFFFAOYSA-N

SMILES: CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10023-103

Name: Imatinib

Alternative Names: Gleevec; Glivec; CGP-57148B; STI-571

LINCS ID: LSM-1023

PubChem CID: 5291

ChEBI ID:

ChEMBL ID: 941

Molecular Mass: 493.26

InChi: InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)

InChi Key: KTUFNOKKBVMGRW-UHFFFAOYSA-N

SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10014-101

Name: GW843682X

Alternative Names: GW843682

LINCS ID: LSM-1014

PubChem CID: 9826308

ChEBI ID:

ChEMBL ID:

Molecular Mass: 477.10

InChi: InChI=1S/C22H18F3N3O4S/c1-30-16-7-14-15(8-17(16)31-2)28(11-27-14)19-9-18(20(33-19)21(26)29)32-10-12-5-3-4-6-13(12)22(23,24)25/h3-9,11H,10H2,1-2H3,(H2,26,29)

InChi Key: JSKUWFIZUALZLX-UHFFFAOYSA-N

SMILES: COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-05-09