HMS LINCS ID: 10058-101

Name: CG-930

Alternative Names: JNK930

LINCS ID: LSM-1058

PubChem CID: 57394468

ChEBI ID:

ChEMBL ID:

Molecular Mass: 448.18

InChi: InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12?,13-,14?/m1/s1

InChi Key: IBGLGMOPHJQDJB-ROKHWSDSSA-N

SMILES: C1COC[C@@H]1N2C3=NC(=NC=C3N=C2NC4=C(C=C(C=C4F)F)F)NC5CCC(CC5)O

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10057-102

Name: MK2206

Alternative Names:

LINCS ID: LSM-1057

PubChem CID: 24964624

ChEBI ID:

ChEMBL ID:

Molecular Mass: 407.17

InChi: InChI=1S/C25H21N5O/c26-25(12-4-13-25)18-9-7-17(8-10-18)22-19(16-5-2-1-3-6-16)15-20-21(27-22)11-14-30-23(20)28-29-24(30)31/h1-3,5-11,14-15H,4,12-13,26H2,(H,29,31)

InChi Key: ULDXWLCXEDXJGE-UHFFFAOYSA-N

SMILES: C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N

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: 10055-101

Name: BX-912

Alternative Names:

LINCS ID: LSM-1055

PubChem CID: 11754511

ChEBI ID:

ChEMBL ID:

Molecular Mass: 470.12

InChi: InChI=1S/C20H23BrN8O/c21-17-12-24-19(28-18(17)23-7-6-16-11-22-13-25-16)26-14-4-3-5-15(10-14)27-20(30)29-8-1-2-9-29/h3-5,10-13H,1-2,6-9H2,(H,22,25)(H,27,30)(H2,23,24,26,28)

InChi Key: DMMILYKXNCVKOJ-UHFFFAOYSA-N

SMILES: C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10053-101

Name: ZSTK474

Alternative Names:

LINCS ID: LSM-1053

PubChem CID: 11647372

ChEBI ID:

ChEMBL ID:

Molecular Mass: 417.17

InChi: InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2

InChi Key: HGVNLRPZOWWDKD-UHFFFAOYSA-N

SMILES: C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10052-101

Name: Sirolimus

Alternative Names: Rapamycin

LINCS ID: LSM-1052

PubChem CID: 5040

ChEBI ID:

ChEMBL ID: 413

Molecular Mass: 913.56

InChi: InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3

InChi Key: QFJCIRLUMZQUOT-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)O)C)C)O)OC)C)C)C)OC

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10051-104

Name: Lapatinib

Alternative Names: GW-572016; Tykerb

LINCS ID: LSM-1051

PubChem CID: 208908

ChEBI ID:

ChEMBL ID: 554

Molecular Mass: 580.13

InChi: InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)

InChi Key: BCFGMOOMADDAQU-UHFFFAOYSA-N

SMILES: CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10050-101

Name: AZ-628

Alternative Names:

LINCS ID: LSM-1050

PubChem CID: 11676786

ChEBI ID:

ChEMBL ID:

Molecular Mass: 451.20

InChi: InChI=1S/C27H25N5O2/c1-17-8-9-21(31-25(33)18-6-5-7-19(12-18)27(2,3)15-28)14-24(17)30-20-10-11-23-22(13-20)26(34)32(4)16-29-23/h5-14,16,30H,1-4H3,(H,31,33)

InChi Key: ZGBGPEDJXCYQPH-UHFFFAOYSA-N

SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10049-101

Name: PLX-4720

Alternative Names:

LINCS ID: LSM-1049

PubChem CID: 24180719

ChEBI ID:

ChEMBL ID:

Molecular Mass: 413.04

InChi: InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)

InChi Key: YZDJQTHVDDOVHR-UHFFFAOYSA-N

SMILES: CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=NC=C(C=C23)Cl)F

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10048-101

Name: PD184352

Alternative Names: CI-1040

LINCS ID: LSM-1048

PubChem CID: 6918454

ChEBI ID:

ChEMBL ID:

Molecular Mass: 477.98

InChi: InChI=1S/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24)

InChi Key: GFMMXOIFOQCCGU-UHFFFAOYSA-N

SMILES: C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04