HMS LINCS ID: 10146-101

Name: Omipalisib

Alternative Names: GSK2126458; GSK2126458A

LINCS ID:

PubChem CID: 25167777

ChEBI ID:

ChEMBL ID:

Molecular Mass: 505.10

InChi: InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3

InChi Key: CGBJSGAELGCMKE-UHFFFAOYSA-N

SMILES: COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-05-06

HMS LINCS ID: 10136-101

Name: TPCA-1

Alternative Names:

LINCS ID: LSM-1136

PubChem CID: 9903786

ChEBI ID:

ChEMBL ID:

Molecular Mass: 279.05

InChi: InChI=1S/C12H10FN3O2S/c13-7-3-1-6(2-4-7)9-5-8(10(14)17)11(19-9)16-12(15)18/h1-5H,(H2,14,17)(H3,15,16,18)

InChi Key: SAYGKHKXGCPTLX-UHFFFAOYSA-N

SMILES: C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)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: 10108-101

Name: Geldanamycin

Alternative Names:

LINCS ID: LSM-1108

PubChem CID: 644250

ChEBI ID:

ChEMBL ID: 278315

Molecular Mass: 560.27

InChi: InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13-15,17,22-24,26,33H,11-12H2,1-7H3,(H2,30,36)(H,31,35)/t15-,17+,22+,23+,24-,26+/m1/s1

InChi Key: QTQAWLPCGQOSGP-UPLAMSTMSA-N

SMILES: C[C@H]1C[C@@H]([C@@H]([C@H](C=C([C@@H]([C@H](C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)C)OC)OC(=O)N)C)C)O)OC

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10107-101

Name: MG-132

Alternative Names:

LINCS ID: LSM-1107

PubChem CID: 462382

ChEBI ID:

ChEMBL ID: 64925

Molecular Mass: 475.30

InChi: InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1

InChi Key: TZYWCYJVHRLUCT-VABKMULXSA-N

SMILES: CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10099-101

Name: Nilotinib

Alternative Names: AMN-107

LINCS ID: LSM-1099

PubChem CID: 644241

ChEBI ID:

ChEMBL ID: 255863

Molecular Mass: 529.18

InChi: InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)

InChi Key: HHZIURLSWUIHRB-UHFFFAOYSA-N

SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)N3C=C(N=C3)C)C(F)(F)F)NC4=NC=CC(=N4)C5=CN=CC=C5

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

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: 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: 10056-101

Name: Selumetinib

Alternative Names: AZD6244; Array142886

LINCS ID: LSM-1056

PubChem CID: 10127622

ChEBI ID:

ChEMBL ID:

Molecular Mass: 456.00

InChi: InChI=1S/C17H15BrClFN4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)

InChi Key: CYOHGALHFOKKQC-UHFFFAOYSA-N

SMILES: CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10029-101

Name: GW-5074

Alternative Names:

LINCS ID: LSM-1029

PubChem CID: 5034

ChEBI ID:

ChEMBL ID:

Molecular Mass: 518.80

InChi: InChI=1S/C15H8Br2INO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,20H,(H,19,21)

InChi Key: LMXYVLFTZRPNRV-UHFFFAOYSA-N

SMILES: C1=CC2=C(C=C1I)C(=CC3=CC(=C(C(=C3)Br)O)Br)C(=O)N2

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04