HMS LINCS ID: 10234-101

Name: GDC-0980

Alternative Names: RG7422

LINCS ID: LSM-4257

PubChem CID: 66694608

ChEBI ID:

ChEMBL ID:

Molecular Mass: 498.22

InChi: InChI=1S/C23H30N8O3S/c1-14-17(13-29-3-5-31(6-4-29)22(33)15(2)32)35-19-18(14)27-20(16-11-25-23(24)26-12-16)28-21(19)30-7-9-34-10-8-30/h11-12,15,32H,3-10,13H2,1-2H3,(H2,24,25,26)

InChi Key: YOVVNQKCSKSHKT-UHFFFAOYSA-N

SMILES: CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)C(C)O

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10233-101

Name: Alpelisib

Alternative Names: BYL719

LINCS ID: LSM-4256

PubChem CID: 56649450

ChEBI ID:

ChEMBL ID:

Molecular Mass: 441.14

InChi: InChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1

InChi Key: STUWGJZDJHPWGZ-LBPRGKRZSA-N

SMILES: CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-07-12

HMS LINCS ID: 10232-101

Name: Dactolisib

Alternative Names: BEZ235; NVP-BEZ235

LINCS ID: LSM-4255

PubChem CID: 11977753

ChEBI ID:

ChEMBL ID:

Molecular Mass: 469.19

InChi: InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3

InChi Key: JOGKUKXHTYWRGZ-UHFFFAOYSA-N

SMILES: CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-08-17

HMS LINCS ID: 10231-101

Name: PF-3758309

Alternative Names:

LINCS ID: LSM-4254

PubChem CID: 25227462

ChEBI ID:

ChEMBL ID:

Molecular Mass: 490.23

InChi: InChI=1S/C25H30N8OS/c1-15-26-18-11-12-35-20(18)23(27-15)29-22-17-13-33(25(2,3)21(17)30-31-22)24(34)28-19(14-32(4)5)16-9-7-6-8-10-16/h6-12,19H,13-14H2,1-5H3,(H,28,34)(H2,26,27,29,30,31)/t19-/m1/s1

InChi Key: AYCPARAPKDAOEN-LJQANCHMSA-N

SMILES: CC1=NC2=C(C(=N1)NC3=NNC4=C3CN(C4(C)C)C(=O)N[C@H](CN(C)C)C5=CC=CC=C5)SC=C2

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10225-101

Name: Regorafenib

Alternative Names: BAY 73-4506

LINCS ID: LSM-1226

PubChem CID: 11167602

ChEBI ID:

ChEMBL ID:

Molecular Mass: 482.08

InChi: InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)

InChi Key: FNHKPVJBJVTLMP-UHFFFAOYSA-N

SMILES: CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)F

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10224-104

Name: AST1306

Alternative Names:

LINCS ID: LSM-1225

PubChem CID: 24739943

ChEBI ID:

ChEMBL ID:

Molecular Mass: 448.11

InChi: InChI=1S/C24H18ClFN4O2/c1-2-23(31)29-17-6-8-21-19(11-17)24(28-14-27-21)30-18-7-9-22(20(25)12-18)32-13-15-4-3-5-16(26)10-15/h2-12,14H,1,13H2,(H,29,31)(H,27,28,30)

InChi Key: MVZGYPSXNDCANY-UHFFFAOYSA-N

SMILES: C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10223-101

Name: AG1478

Alternative Names: Tyrphostin

LINCS ID: LSM-1224

PubChem CID: 2051

ChEBI ID:

ChEMBL ID:

Molecular Mass: 315.08

InChi: InChI=1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)

InChi Key: GFNNBHLJANVSQV-UHFFFAOYSA-N

SMILES: COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Cl)OC

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10222-101

Name: Dacomitinib

Alternative Names: PF-00299804

LINCS ID: LSM-1223

PubChem CID: 57519532

ChEBI ID:

ChEMBL ID:

Molecular Mass: 469.17

InChi: InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)

InChi Key: LVXJQMNHJWSHET-UHFFFAOYSA-N

SMILES: COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)C=CCN4CCCCC4

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10221-101

Name: GSK2334470

Alternative Names:

LINCS ID: LSM-1222

PubChem CID: 46215815

ChEBI ID:

ChEMBL ID:

Molecular Mass: 462.29

InChi: InChI=1S/C25H34N8O/c1-15-8-9-17(24(34)28-18-6-4-3-5-7-18)14-33(15)22-13-20(29-25(27-2)30-22)16-10-11-19-21(12-16)31-32-23(19)26/h10-13,15,17-18H,3-9,14H2,1-2H3,(H,28,34)(H3,26,31,32)(H,27,29,30)/t15-,17+/m1/s1

InChi Key: QLPHOXTXAKOFMU-WBVHZDCISA-N

SMILES: C[C@@H]1CC[C@@H](CN1C2=NC(=NC(=C2)C3=CC4=C(C=C3)C(=NN4)N)NC)C(=O)NC5CCCCC5

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10208-101

Name: JNK-IN-5A

Alternative Names: TCS JNK 5a; KIN001-188

LINCS ID: LSM-1209

PubChem CID: 766949

ChEBI ID:

ChEMBL ID:

Molecular Mass: 332.10

InChi: InChI=1S/C20H16N2OS/c21-12-17-15-9-3-4-11-18(15)24-20(17)22-19(23)16-10-5-7-13-6-1-2-8-14(13)16/h1-2,5-8,10H,3-4,9,11H2,(H,22,23)

InChi Key: WQGDQGAFSDMBLA-UHFFFAOYSA-N

SMILES: C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC4=CC=CC=C43)C#N

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04