HMS LINCS ID: 10348-999

Name: Z-Leu-Leu-Norvalinal

Alternative Names: MG-115

LINCS ID: LSM-6358

PubChem CID: 9868928

ChEBI ID:

ChEMBL ID:

Molecular Mass: 461.29

InChi: InChI=1S/C25H39N3O5/c1-6-10-20(15-29)26-23(30)21(13-17(2)3)27-24(31)22(14-18(4)5)28-25(32)33-16-19-11-8-7-9-12-19/h7-9,11-12,15,17-18,20-22H,6,10,13-14,16H2,1-5H3,(H,26,30)(H,27,31)(H,28,32)/t20-,21-,22-/m0/s1

InChi Key: QEJRGURBLQWEOU-FKBYEOEOSA-N

SMILES: CCC[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: 2016-05-06

HMS LINCS ID: 10346-110

Name: Valproic acid

Alternative Names: Depakine

LINCS ID: LSM-6363

PubChem CID: 3549980

ChEBI ID:

ChEMBL ID:

Molecular Mass: 144.12

InChi: InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)

InChi Key: NIJJYAXOARWZEE-UHFFFAOYSA-N

SMILES: CCCC(CCC)C(=O)O

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10344-101

Name: Olomoucine II

Alternative Names:

LINCS ID: LSM-6356

PubChem CID: 10067756

ChEBI ID:

ChEMBL ID:

Molecular Mass: 370.21

InChi: InChI=1S/C19H26N6O2/c1-4-14(10-26)22-19-23-17(20-9-13-7-5-6-8-15(13)27)16-18(24-19)25(11-21-16)12(2)3/h5-8,11-12,14,26-27H,4,9-10H2,1-3H3,(H2,20,22,23,24)

InChi Key: NDUVSANREQEDRE-UHFFFAOYSA-N

SMILES: CCC(CO)NC1=NC2=C(C(=N1)NCC3=CC=CC=C3O)N=CN2C(C)C

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10343-101

Name: Baicalein

Alternative Names:

LINCS ID: LSM-6355

PubChem CID: 5281605

ChEBI ID:

ChEMBL ID:

Molecular Mass: 270.05

InChi: InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H

InChi Key: FXNFHKRTJBSTCS-UHFFFAOYSA-N

SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O)O)O

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10283-101

Name: XRP44X

Alternative Names: AG-G-87906

LINCS ID: LSM-4298

PubChem CID: 10339779

ChEBI ID:

ChEMBL ID:

Molecular Mass: 380.14

InChi: InChI=1S/C21H21ClN4O/c1-16-14-20(26(23-16)18-7-3-2-4-8-18)21(27)25-12-10-24(11-13-25)19-9-5-6-17(22)15-19/h2-9,14-15H,10-13H2,1H3

InChi Key: NPHPNBGYPKBDDB-UHFFFAOYSA-N

SMILES: CC1=NN(C(=C1)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)C4=CC=CC=C4

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10282-101

Name: Vorinostat

Alternative Names: suberoylanilide hydroxamic acid (SAHA); Zolinza

LINCS ID: LSM-3828

PubChem CID: 5311

ChEBI ID:

ChEMBL ID:

Molecular Mass: 264.15

InChi: InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)

InChi Key: WAEXFXRVDQXREF-UHFFFAOYSA-N

SMILES: C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10281-101

Name: Vinorelbine

Alternative Names: Navelbine

LINCS ID: LSM-6302

PubChem CID: 5311497

ChEBI ID:

ChEMBL ID:

Molecular Mass: 778.39

InChi: InChI=1S/C45H54N4O8/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3/t28-,37-,38+,39+,42+,43+,44-,45-/m0/s1

InChi Key: GBABOYUKABKIAF-IELIFDKJSA-N

SMILES: CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10280-101

Name: Triciribine

Alternative Names:

LINCS ID: LSM-3810

PubChem CID: 65399

ChEBI ID:

ChEMBL ID:

Molecular Mass: 320.12

InChi: InChI=1S/C13H16N6O4/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(22)8(21)6(3-20)23-13/h2,4,6,8-9,13,20-22H,3H2,1H3,(H2,14,17)/t6-,8-,9-,13-/m1/s1

InChi Key: HOGVTUZUJGHKPL-HTVVRFAVSA-N

SMILES: CN1C2=NC=NC3=C2C(=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)C(=N1)N

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10279-101

Name: Trichostatin A

Alternative Names:

LINCS ID: LSM-3524

PubChem CID:

ChEBI ID:

ChEMBL ID:

Molecular Mass: 302.16

InChi: InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/t13-/m1/s1

InChi Key: RTKIYFITIVXBLE-CYBMUJFWSA-N

SMILES: C[C@H](C=C(C)C=CC(=O)NO)C(=O)C1=CC=C(C=C1)N(C)C

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10278-999

Name: Topotecan

Alternative Names: Hycamtin

LINCS ID: LSM-5662

PubChem CID: 60700

ChEBI ID:

ChEMBL ID:

Molecular Mass: 421.16

InChi: InChI=1S/C23H23N3O5/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20/h5-8,27,30H,4,9-11H2,1-3H3/t23-/m0/s1

InChi Key: UCFGDBYHRUNTLO-QHCPKHFHSA-N

SMILES: CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=C(C5=C4)CN(C)C)O)O

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-05-06