HMS LINCS ID: 10102-101

Name: Taxol

Alternative Names: Paclitaxel

LINCS ID: LSM-1102

PubChem CID: 441276

ChEBI ID:

ChEMBL ID: 428647

Molecular Mass: 853.33

InChi: InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38?,40-,45+,46-,47+/m0/s1

InChi Key: RCINICONZNJXQF-VAZQATRQSA-N

SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C

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

HMS LINCS ID: 10027-101

Name: Crizotinib

Alternative Names: PF02341066

LINCS ID: LSM-1027

PubChem CID: 11626560

ChEBI ID:

ChEMBL ID: 601719

Molecular Mass: 449.12

InChi: InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1

InChi Key: KTEIFNKAUNYNJU-GFCCVEGCSA-N

SMILES: C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10020-101

Name: Dasatinib

Alternative Names: BMS-354825; Sprycel

LINCS ID: LSM-1020

PubChem CID: 3062316

ChEBI ID:

ChEMBL ID: 1421

Molecular Mass: 487.16

InChi: InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)

InChi Key: ZBNZXTGUTAYRHI-UHFFFAOYSA-N

SMILES: CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=NC(=NC(=C3)N4CCN(CC4)CCO)C

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10018-101

Name: Neratinib

Alternative Names: HKI-272

LINCS ID: LSM-1018

PubChem CID: 53398697

ChEBI ID:

ChEMBL ID: 180022

Molecular Mass: 556.20

InChi: InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)

InChi Key: JWNPDZNEKVCWMY-UHFFFAOYSA-N

SMILES: CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)C=CCN(C)C

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: 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: 10206-101

Name: RAF 265

Alternative Names: CHIR-265

LINCS ID: LSM-1207

PubChem CID: 11656518

ChEBI ID:

ChEMBL ID:

Molecular Mass: 518.13

InChi: InChI=1S/C24H16F6N6O/c1-36-19-7-6-15(10-17(19)34-22(36)33-14-4-2-13(3-5-14)23(25,26)27)37-16-8-9-31-18(11-16)21-32-12-20(35-21)24(28,29)30/h2-12H,1H3,(H,32,35)(H,33,34)

InChi Key: YABJJWZLRMPFSI-UHFFFAOYSA-N

SMILES: CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F

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