HMS LINCS ID: 10013-101

Name: GSK461364

Alternative Names: GSK461364A

LINCS ID: LSM-1013

PubChem CID: 15983966

ChEBI ID:

ChEMBL ID:

Molecular Mass: 543.19

InChi: InChI=1S/C27H28F3N5O2S/c1-17(19-5-3-4-6-20(19)27(28,29)30)37-23-14-24(38-25(23)26(31)36)35-16-32-21-8-7-18(13-22(21)35)15-34-11-9-33(2)10-12-34/h3-8,13-14,16-17H,9-12,15H2,1-2H3,(H2,31,36)/t17-/m1/s1

InChi Key: ZHJGWYRLJUCMRT-QGZVFWFLSA-N

SMILES: C[C@H](C1=CC=CC=C1C(F)(F)F)OC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)CN5CCN(CC5)C)C(=O)N

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-05-06

HMS LINCS ID: 10271-101

Name: PD 98059

Alternative Names:

LINCS ID: LSM-3394

PubChem CID: 4713

ChEBI ID:

ChEMBL ID:

Molecular Mass: 267.09

InChi: InChI=1S/C16H13NO3/c1-19-14-8-4-6-11(16(14)17)15-9-12(18)10-5-2-3-7-13(10)20-15/h2-9H,17H2,1H3

InChi Key: QFWCYNPOPKQOKV-UHFFFAOYSA-N

SMILES: COC1=CC=CC(=C1N)C2=CC(=O)C3=CC=CC=C3O2

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10235-101

Name: Everolimus

Alternative Names: RAD001

LINCS ID: LSM-4258

PubChem CID: 53398658

ChEBI ID:

ChEMBL ID:

Molecular Mass: 957.58

InChi: InChI=1S/C53H83NO14/c1-32-16-12-11-13-17-33(2)44(63-8)30-40-21-19-38(7)53(62,68-40)50(59)51(60)54-23-15-14-18-41(54)52(61)67-45(35(4)28-39-20-22-43(66-25-24-55)46(29-39)64-9)31-42(56)34(3)27-37(6)48(58)49(65-10)47(57)36(5)26-32/h11-13,16-17,27,32,34-36,38-41,43-46,48-49,55,58,62H,14-15,18-26,28-31H2,1-10H3

InChi Key: HKVAMNSJSFKALM-UHFFFAOYSA-N

SMILES: CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OCCO)C)C)O)OC)C)C)C)OC

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

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: 10230-101

Name: Lestaurtinib

Alternative Names: CEP-701

LINCS ID: LSM-1231

PubChem CID: 126565

ChEBI ID:

ChEMBL ID:

Molecular Mass: 439.15

InChi: InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1

InChi Key: UIARLYUEJFELEN-LROUJFHJSA-N

SMILES: C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10228-102

Name: IKK16

Alternative Names:

LINCS ID: LSM-2309

PubChem CID: 9549298

ChEBI ID:

ChEMBL ID:

Molecular Mass: 483.21

InChi: InChI=1S/C28H29N5OS/c34-27(33-17-12-23(13-18-33)32-15-3-4-16-32)20-7-9-22(10-8-20)30-28-29-14-11-24(31-28)26-19-21-5-1-2-6-25(21)35-26/h1-2,5-11,14,19,23H,3-4,12-13,15-18H2,(H,29,30,31)

InChi Key: BWZJBXAPRCVCKQ-UHFFFAOYSA-N

SMILES: C1CCN(C1)C2CCN(CC2)C(=O)C3=CC=C(C=C3)NC4=NC=CC(=N4)C5=CC6=CC=CC=C6S5

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: 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

HMS LINCS ID: 10189-101

Name: Bosutinib

Alternative Names: SKI-606

LINCS ID: LSM-1190

PubChem CID: 5328940

ChEBI ID:

ChEMBL ID:

Molecular Mass: 529.16

InChi: InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)

InChi Key: UBPYILGKFZZVDX-UHFFFAOYSA-N

SMILES: CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10172-101

Name: GSK1059615

Alternative Names:

LINCS ID: LSM-1173

PubChem CID: 71317162

ChEBI ID:

ChEMBL ID:

Molecular Mass: 333.06

InChi: InChI=1S/C18H11N3O2S/c22-17-16(24-18(23)21-17)10-11-1-2-15-14(9-11)13(5-8-20-15)12-3-6-19-7-4-12/h1-10H,(H,21,22,23)

InChi Key: QDITZBLZQQZVEE-UHFFFAOYSA-N

SMILES: C1=CC2=NC=CC(=C2C=C1C=C3C(=O)NC(=O)S3)C4=CC=NC=C4

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04