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: 10133-101

Name: Afatinib

Alternative Names: BIBW-2992

LINCS ID: LSM-5742

PubChem CID: 57519523

ChEBI ID:

ChEMBL ID:

Molecular Mass: 485.16

InChi: InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/t16-/m0/s1

InChi Key: ULXXDDBFHOBEHA-INIZCTEOSA-N

SMILES: CN(C)CC=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4

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: 10131-101

Name: Tivantinib

Alternative Names: ARQ197

LINCS ID: LSM-1131

PubChem CID: 11494412

ChEBI ID:

ChEMBL ID:

Molecular Mass: 369.15

InChi: InChI=1S/C23H19N3O2/c27-22-19(16-11-24-18-9-2-1-7-14(16)18)20(23(28)25-22)17-12-26-10-4-6-13-5-3-8-15(17)21(13)26/h1-3,5,7-9,11-12,19-20,24H,4,6,10H2,(H,25,27,28)/t19-,20-/m0/s1

InChi Key: UCEQXRCJXIVODC-PMACEKPBSA-N

SMILES: C1CC2=CC=CC3=C2N(C1)C=C3[C@H]4[C@@H](C(=O)NC4=O)C5=CNC6=CC=CC=C65

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10130-101

Name: Masitinib

Alternative Names: AB1010

LINCS ID: LSM-1130

PubChem CID: 10074640

ChEBI ID:

ChEMBL ID:

Molecular Mass: 498.22

InChi: InChI=1S/C28H30N6OS/c1-20-5-10-24(16-25(20)31-28-32-26(19-36-28)23-4-3-11-29-17-23)30-27(35)22-8-6-21(7-9-22)18-34-14-12-33(2)13-15-34/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,30,35)(H,31,32)

InChi Key: WJEOLQLKVOPQFV-UHFFFAOYSA-N

SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10129-101

Name: Ibrutinib

Alternative Names: PCI-32765

LINCS ID: LSM-1129

PubChem CID: 16126651

ChEBI ID:

ChEMBL ID:

Molecular Mass: 440.20

InChi: InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)

InChi Key: XYFPWWZEPKGCCK-UHFFFAOYSA-N

SMILES: C=CC(=O)N1CCCC(C1)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

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: 10127-101

Name: Dovitinib

Alternative Names: TKI_258; TKI258

LINCS ID: LSM-1127

PubChem CID: 49830557

ChEBI ID:

ChEMBL ID:

Molecular Mass: 392.18

InChi: InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11,24-25H,7-10,23H2,1H3

InChi Key: KCOYQXZDFIIGCY-UHFFFAOYSA-N

SMILES: CN1CCN(CC1)C2=CC3=C(C=C2)NC(=C4C(=C5C(=NC4=O)C=CC=C5F)N)N3

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10126-101

Name: PI103

Alternative Names:

LINCS ID: LSM-1126

PubChem CID: 9884685

ChEBI ID:

ChEMBL ID: 538346

Molecular Mass: 348.12

InChi: InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2

InChi Key: TUVCWJQQGGETHL-UHFFFAOYSA-N

SMILES: C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04