HMS LINCS ID: 10019-101

Name: JW-7-24-1

Alternative Names:

LINCS ID: LSM-5674

PubChem CID: 69923936

ChEBI ID:

ChEMBL ID:

Molecular Mass: 560.20

InChi: InChI=1S/C31H27F3N4O3/c1-40-23-13-21(14-24(17-23)41-2)19-3-6-27-25(15-19)30-20(18-36-27)4-8-29(39)38(30)22-5-7-28(26(16-22)31(32,33)34)37-11-9-35-10-12-37/h3-8,13-18,35H,9-12H2,1-2H3

InChi Key: VVTHOUCIAGHQBD-UHFFFAOYSA-N

SMILES: COC1=CC(=CC(=C1)C2=CC3=C4C(=CN=C3C=C2)C=CC(=O)N4C5=CC(=C(C=C5)N6CCNCC6)C(F)(F)F)OC

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: 10017-101

Name: HG-6-64-01

Alternative Names: KIN001-206

LINCS ID: LSM-6015

PubChem CID:

ChEBI ID:

ChEMBL ID:

Molecular Mass: 577.27

InChi: InChI=1S/C32H34F3N5O2/c1-4-39-13-15-40(16-14-39)20-25-9-10-26(18-28(25)32(33,34)35)38-31(41)23-6-5-21(2)22(17-23)7-8-24-19-37-30-27(11-12-36-30)29(24)42-3/h5-12,17-19H,4,13-16,20H2,1-3H3,(H,36,37)(H,38,41)/b8-7+

InChi Key: UMBFDGUGXMOMHX-BQYQJAHWSA-N

SMILES: CC1=CC=C(C(NC2=CC=C(CN3CCN(CC)CC3)C(C(F)(F)F)=C2)=O)C=C1/C=C/C4=C(OC)C5=C(NC=C5)N=C4

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10016-101

Name: HG-5-88-01

Alternative Names:

LINCS ID: LSM-5245

PubChem CID: 25226117

ChEBI ID:

ChEMBL ID:

Molecular Mass: 573.19

InChi: InChI=1S/C26H32ClN7O4S/c1-15(2)39(36,37)21-7-5-4-6-19(21)30-25-22(27)23(28)32-26(33-25)31-18-9-8-17(14-20(18)38-3)34-12-10-16(11-13-34)24(29)35/h4-9,14-16H,10-13H2,1-3H3,(H2,29,35)(H4,28,30,31,32,33)

InChi Key: IMEGLYUXMGWVQA-UHFFFAOYSA-N

SMILES: CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC(=C2Cl)N)NC3=C(C=C(C=C3)N4CCC(CC4)C(=O)N)OC

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10015-101

Name: HG-5-113-01

Alternative Names:

LINCS ID: LSM-5982

PubChem CID: 25226483

ChEBI ID:

ChEMBL ID:

Molecular Mass: 464.16

InChi: InChI=1S/C23H24N6O3S/c1-14(2)33(31,32)19-7-5-4-6-17(19)27-18-12-21(29-22-16(18)10-11-25-22)28-20-9-8-15(13-26-20)23(30)24-3/h4-14H,1-3H3,(H,24,30)(H3,25,26,27,28,29)

InChi Key: INAFQGYNNQIERK-UHFFFAOYSA-N

SMILES: CC(C)S(=O)(=O)C1=CC=CC=C1NC2=CC(=NC3=C2C=CN3)NC4=NC=C(C=C4)C(=O)NC

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10014-101

Name: GW843682X

Alternative Names: GW843682

LINCS ID: LSM-1014

PubChem CID: 9826308

ChEBI ID:

ChEMBL ID:

Molecular Mass: 477.10

InChi: InChI=1S/C22H18F3N3O4S/c1-30-16-7-14-15(8-17(16)31-2)28(11-27-14)19-9-18(20(33-19)21(26)29)32-10-12-5-3-4-6-13(12)22(23,24)25/h3-9,11H,10H2,1-2H3,(H2,26,29)

InChi Key: JSKUWFIZUALZLX-UHFFFAOYSA-N

SMILES: COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-05-09

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: 10012-101

Name: GSK429286A

Alternative Names:

LINCS ID: LSM-1012

PubChem CID: 11373846

ChEBI ID:

ChEMBL ID:

Molecular Mass: 432.12

InChi: InChI=1S/C21H16F4N4O2/c1-10-19(20(31)28-17-6-12-9-26-29-16(12)8-15(17)22)14(7-18(30)27-10)11-2-4-13(5-3-11)21(23,24)25/h2-6,8-9,14H,7H2,1H3,(H,26,29)(H,27,30)(H,28,31)

InChi Key: OLIIUAHHAZEXEX-UHFFFAOYSA-N

SMILES: CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10011-101

Name: Alvocidib

Alternative Names: Flavopiridol; HMR-1275; L868275

LINCS ID: LSM-1011

PubChem CID: 5287969

ChEBI ID:

ChEMBL ID: 428690

Molecular Mass: 401.10

InChi: InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1

InChi Key: BIIVYFLTOXDAOV-YVEFUNNKSA-N

SMILES: CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-07-12

HMS LINCS ID: 10010-101

Name: CP724714

Alternative Names:

LINCS ID: LSM-1010

PubChem CID: 53401057

ChEBI ID:

ChEMBL ID:

Molecular Mass: 469.21

InChi: InChI=1S/C27H27N5O3/c1-18-13-21(8-11-25(18)35-22-9-6-19(2)29-15-22)32-27-23-14-20(7-10-24(23)30-17-31-27)5-4-12-28-26(33)16-34-3/h4-11,13-15,17H,12,16H2,1-3H3,(H,28,33)(H,30,31,32)

InChi Key: LLVZBTWPGQVVLW-UHFFFAOYSA-N

SMILES: CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C=CCNC(=O)COC)C

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04