HMS LINCS ID: 10098-101

Name: Gefitinib

Alternative Names: ZD1839; Iressa

LINCS ID: LSM-1098

PubChem CID: 123631

ChEBI ID:

ChEMBL ID:

Molecular Mass: 446.15

InChi: InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)

InChi Key: XGALLCVXEZPNRQ-UHFFFAOYSA-N

SMILES: COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10097-101

Name: Erlotinib

Alternative Names: OSI-774

LINCS ID: LSM-1097

PubChem CID: 176870

ChEBI ID:

ChEMBL ID: 553

Molecular Mass: 393.17

InChi: InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)

InChi Key: AAKJLRGGTJKAMG-UHFFFAOYSA-N

SMILES: COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10096-101

Name: ZM-447439

Alternative Names:

LINCS ID: LSM-1096

PubChem CID: 9914412

ChEBI ID:

ChEMBL ID:

Molecular Mass: 513.24

InChi: InChI=1S/C29H31N5O4/c1-36-26-18-24-25(19-27(26)38-15-5-12-34-13-16-37-17-14-34)30-20-31-28(24)32-22-8-10-23(11-9-22)33-29(35)21-6-3-2-4-7-21/h2-4,6-11,18-20H,5,12-17H2,1H3,(H,33,35)(H,30,31,32)

InChi Key: OGNYUTNQZVRGMN-UHFFFAOYSA-N

SMILES: COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10095-101

Name: ZG-10

Alternative Names:

LINCS ID: LSM-6300

PubChem CID:

ChEBI ID:

ChEMBL ID:

Molecular Mass: 493.22

InChi: InChI=1S/C28H27N7O2/c1-35(2)17-5-9-26(36)31-22-12-10-20(11-13-22)27(37)32-23-7-3-8-24(18-23)33-28-30-16-14-25(34-28)21-6-4-15-29-19-21/h3-16,18-19H,17H2,1-2H3,(H,31,36)(H,32,37)(H,30,33,34)/b9-5+

InChi Key: VZEONOGFXYTZGT-WEVVVXLNSA-N

SMILES: O=C(C1=CC=C(NC(/C=C/CN(C)C)=O)C=C1)NC2=CC(NC3=NC(C4=CC=CN=C4)=CC=N3)=CC=C2

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10094-101

Name: XMD8-92

Alternative Names:

LINCS ID: LSM-1094

PubChem CID: 46843772

ChEBI ID:

ChEMBL ID:

Molecular Mass: 474.24

InChi: InChI=1S/C26H30N6O3/c1-4-35-23-15-17(32-13-11-18(33)12-14-32)9-10-20(23)28-26-27-16-22-24(29-26)30(2)21-8-6-5-7-19(21)25(34)31(22)3/h5-10,15-16,18,33H,4,11-14H2,1-3H3,(H,27,28,29)

InChi Key: QAPAJIZPZGWAND-UHFFFAOYSA-N

SMILES: CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10093-101

Name: XMD8-85

Alternative Names:

LINCS ID: LSM-1093

PubChem CID: 46844147

ChEBI ID:

ChEMBL ID:

Molecular Mass: 459.24

InChi: InChI=1S/C25H29N7O2/c1-29-11-13-32(14-12-29)17-9-10-19(22(15-17)34-4)27-25-26-16-21-23(28-25)30(2)20-8-6-5-7-18(20)24(33)31(21)3/h5-10,15-16H,11-14H2,1-4H3,(H,26,27,28)

InChi Key: DDTPGANIPBKTNU-UHFFFAOYSA-N

SMILES: CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)OC

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10092-101

Name: JWE-035

Alternative Names:

LINCS ID: LSM-1092

PubChem CID: 57340671

ChEBI ID:

ChEMBL ID:

Molecular Mass: 525.25

InChi: InChI=1S/C27H30F3N7O/c1-4-36-11-13-37(14-12-36)17-18-9-10-19(15-21(18)27(28,29)30)32-26-31-16-23-24(33-26)34(2)22-8-6-5-7-20(22)25(38)35(23)3/h5-10,15-16H,4,11-14,17H2,1-3H3,(H,31,32,33)

InChi Key: PXGLIUGVLBRUBV-UHFFFAOYSA-N

SMILES: CCN1CCN(CC1)CC2=C(C=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)C(F)(F)F

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10091-101

Name: XMD16-144

Alternative Names:

LINCS ID: LSM-6299

PubChem CID:

ChEBI ID:

ChEMBL ID:

Molecular Mass: 457.22

InChi: InChI=1S/C25H27N7O2/c1-30(2)14-8-13-22(33)27-17-9-7-10-18(15-17)28-25-26-16-21-23(29-25)31(3)20-12-6-5-11-19(20)24(34)32(21)4/h5-13,15-16H,14H2,1-4H3,(H,27,33)(H,26,28,29)/b13-8+

InChi Key: XGICKGXGLUYWDW-MDWZMJQESA-N

SMILES: O=C1C2=C(C=CC=C2)N(C)C3=NC(NC4=CC(NC(/C=C/CN(C)C)=O)=CC=C4)=NC=C3N1C

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10090-101

Name: XMD15-27

Alternative Names:

LINCS ID: LSM-6298

PubChem CID:

ChEBI ID:

ChEMBL ID:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10089-101

Name: XMD14-99

Alternative Names:

LINCS ID: LSM-6297

PubChem CID:

ChEBI ID:

ChEMBL ID:

Molecular Mass: 491.09

InChi: InChI=1S/C22H23Cl2N5O2S/c1-28-8-10-29(11-9-28)13-6-7-16(17(12-13)31-2)26-22-27-21(25)20(32-22)19(30)18-14(23)4-3-5-15(18)24/h3-7,12H,8-11,25H2,1-2H3,(H,26,27)

InChi Key: UISRWLSAXIOCND-UHFFFAOYSA-N

SMILES: CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC(=C(S3)C(=O)C4=C(C=CC=C4Cl)Cl)N)OC

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04