HMS LINCS ID: 10027-101

Name: Crizotinib

Alternative Names: PF02341066

LINCS ID: LSM-1027

PubChem CID: 11626560

ChEBI ID:

ChEMBL ID: 601719

Molecular Mass: 449.12

InChi: InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1

InChi Key: KTEIFNKAUNYNJU-GFCCVEGCSA-N

SMILES: C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N

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: 10025-101

Name: CGP60474

Alternative Names: MLS000911536; SMR000463552

LINCS ID: LSM-1025

PubChem CID: 644215

ChEBI ID:

ChEMBL ID: 300389

Molecular Mass: 355.12

InChi: InChI=1S/C18H18ClN5O/c19-14-3-1-4-15(12-14)23-18-22-9-6-16(24-18)13-5-8-21-17(11-13)20-7-2-10-25/h1,3-6,8-9,11-12,25H,2,7,10H2,(H,20,21)(H,22,23,24)

InChi Key: IYNDTACKOAXKBJ-UHFFFAOYSA-N

SMILES: C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10024-101

Name: NVP-TAE684

Alternative Names: TAE-684

LINCS ID: LSM-1024

PubChem CID: 16038120

ChEBI ID:

ChEMBL ID: 509032

Molecular Mass: 613.26

InChi: InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35)

InChi Key: QQWUGDVOUVUTOY-UHFFFAOYSA-N

SMILES: CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-07-12

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: 10022-101

Name: GNF2

Alternative Names:

LINCS ID: LSM-1022

PubChem CID: 5311510

ChEBI ID:

ChEMBL ID: 483847

Molecular Mass: 374.10

InChi: InChI=1S/C18H13F3N4O2/c19-18(20,21)27-14-6-4-13(5-7-14)25-16-9-15(23-10-24-16)11-2-1-3-12(8-11)17(22)26/h1-10H,(H2,22,26)(H,23,24,25)

InChi Key: WEVYNIUIFUYDGI-UHFFFAOYSA-N

SMILES: C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10021-101

Name: Tozasertib

Alternative Names: VX680; MK-0457

LINCS ID: LSM-1021

PubChem CID: 5494449

ChEBI ID:

ChEMBL ID: 572878

Molecular Mass: 464.21

InChi: InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)

InChi Key: GCIKSSRWRFVXBI-UHFFFAOYSA-N

SMILES: CC1=CC(=NN1)NC2=NC(=NC(=C2)N3CCN(CC3)C)SC4=CC=C(C=C4)NC(=O)C5CC5

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10020-101

Name: Dasatinib

Alternative Names: BMS-354825; Sprycel

LINCS ID: LSM-1020

PubChem CID: 3062316

ChEBI ID:

ChEMBL ID: 1421

Molecular Mass: 487.16

InChi: InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)

InChi Key: ZBNZXTGUTAYRHI-UHFFFAOYSA-N

SMILES: CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=NC(=NC(=C3)N4CCN(CC4)CCO)C

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10019-101

Name: JW-7-24-1

Alternative Names:

LINCS ID: LSM-5674

PubChem CID: 69923936

ChEBI ID:

ChEMBL ID:

Molecular Mass: 560.20

InChi: InChI=1S/C31H27F3N4O3/c1-40-23-13-21(14-24(17-23)41-2)19-3-6-27-25(15-19)30-20(18-36-27)4-8-29(39)38(30)22-5-7-28(26(16-22)31(32,33)34)37-11-9-35-10-12-37/h3-8,13-18,35H,9-12H2,1-2H3

InChi Key: VVTHOUCIAGHQBD-UHFFFAOYSA-N

SMILES: COC1=CC(=CC(=C1)C2=CC3=C4C(=CN=C3C=C2)C=CC(=O)N4C5=CC(=C(C=C5)N6CCNCC6)C(F)(F)F)OC

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10018-101

Name: Neratinib

Alternative Names: HKI-272

LINCS ID: LSM-1018

PubChem CID: 53398697

ChEBI ID:

ChEMBL ID: 180022

Molecular Mass: 556.20

InChi: InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)

InChi Key: JWNPDZNEKVCWMY-UHFFFAOYSA-N

SMILES: CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)C=CCN(C)C

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04