HMS LINCS ID: 10266-101

Name: NSC 663284

Alternative Names:

LINCS ID: LSM-2042

PubChem CID: 379077

ChEBI ID:

ChEMBL ID:

Molecular Mass: 321.09

InChi: InChI=1S/C15H16ClN3O3/c16-11-13(18-4-5-19-6-8-22-9-7-19)15(21)12-10(14(11)20)2-1-3-17-12/h1-3,18H,4-9H2

InChi Key: BMKPVDQDJQWBPD-UHFFFAOYSA-N

SMILES: C1COCCN1CCNC2=C(C(=O)C3=C(C2=O)N=CC=C3)Cl

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10265-101

Name: Pevonedistat

Alternative Names: MLN 4924; MLN-4924; MLN4924

LINCS ID: LSM-6263

PubChem CID: 16720766

ChEBI ID:

ChEMBL ID: 1231160

Molecular Mass: 443.16

InChi: InChI=1S/C21H25N5O4S/c22-31(28,29)30-11-14-9-15(10-19(14)27)26-8-7-17-20(23-12-24-21(17)26)25-18-6-5-13-3-1-2-4-16(13)18/h1-4,7-8,12,14-15,18-19,27H,5-6,9-11H2,(H2,22,28,29)(H,23,24,25)/t14-,15+,18-,19-/m0/s1

InChi Key: MPUQHZXIXSTTDU-QXGSTGNESA-N

SMILES: C1CC2=CC=CC=C2[C@H]1NC3=NC=NC4=C3C=CN4[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2017-05-12

HMS LINCS ID: 10264-101

Name: Methodivexate

Alternative Names: Rheumadivex; Trexall; Amethopterin; MTX

LINCS ID: LSM-5690

PubChem CID: 126941

ChEBI ID: 44185

ChEMBL ID: 34259

Molecular Mass: 454.17

InChi: InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1

InChi Key: FBOZXECLQNJBKD-ZDUSSCGKSA-N

SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2017-05-12

HMS LINCS ID: 10263-101

Name: LBH589

Alternative Names: Panobinostat

LINCS ID: LSM-4284

PubChem CID: 57519507

ChEBI ID:

ChEMBL ID:

Molecular Mass: 349.18

InChi: InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)

InChi Key: FPOHNWQLNRZRFC-UHFFFAOYSA-N

SMILES: CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)C=CC(=O)NO

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10262-101

Name: L-779450

Alternative Names:

LINCS ID: LSM-4283

PubChem CID: 9950176

ChEBI ID:

ChEMBL ID:

Molecular Mass: 347.08

InChi: InChI=1S/C20H14ClN3O/c21-16-7-6-15(12-17(16)25)19-18(13-8-10-22-11-9-13)23-20(24-19)14-4-2-1-3-5-14/h1-12,25H,(H,23,24)

InChi Key: WXJLXRNWMLWVFB-UHFFFAOYSA-N

SMILES: C1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC(=C(C=C4)Cl)O

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10261-101

Name: Ixabepilone

Alternative Names: Azaepothilone B; Ixempra

LINCS ID: LSM-6350

PubChem CID: 216344

ChEBI ID:

ChEMBL ID:

Molecular Mass: 506.28

InChi: InChI=1S/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/t15-,17+,20-,21-,22-,24-,27+/m0/s1

InChi Key: FABUFPQFXZVHFB-DIZZFTFVSA-N

SMILES: C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](NC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)C(=CC3=CSC(=N3)C)C)C

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-10-28

HMS LINCS ID: 10260-999

Name: Ispinesib

Alternative Names: SB-715992

LINCS ID: LSM-5732

PubChem CID: 6851740

ChEBI ID:

ChEMBL ID:

Molecular Mass: 516.23

InChi: InChI=1S/C30H33ClN4O2/c1-20(2)27(34(17-7-16-32)29(36)23-12-10-21(3)11-13-23)28-33-26-18-24(31)14-15-25(26)30(37)35(28)19-22-8-5-4-6-9-22/h4-6,8-15,18,20,27H,7,16-17,19,32H2,1-3H3/t27-/m1/s1

InChi Key: QJZRFPJCWMNVAV-HHHXNRCGSA-N

SMILES: CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-05-06

HMS LINCS ID: 10259-101

Name: ICRF-193

Alternative Names:

LINCS ID: LSM-4280

PubChem CID: 115150

ChEBI ID:

ChEMBL ID:

Molecular Mass: 282.13

InChi: InChI=1S/C12H18N4O4/c1-7(15-3-9(17)13-10(18)4-15)8(2)16-5-11(19)14-12(20)6-16/h7-8H,3-6H2,1-2H3,(H,13,17,18)(H,14,19,20)

InChi Key: OBYGAPWKTPDTAS-UHFFFAOYSA-N

SMILES: CC(C(C)N1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10258-110

Name: Ibandronate

Alternative Names: Boniva

LINCS ID: LSM-4279

PubChem CID: 44828485

ChEBI ID:

ChEMBL ID:

Molecular Mass: 318.09

InChi: InChI=1S/C9H23NO7P2/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17)/p-1

InChi Key: MPBVHIBUJCELCL-UHFFFAOYSA-M

SMILES: CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)[O-]

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10257-101

Name: GSK923295

Alternative Names:

LINCS ID: LSM-4278

PubChem CID: 68651179

ChEBI ID:

ChEMBL ID:

Molecular Mass: 591.26

InChi: InChI=1S/C32H38ClN5O4/c1-20(2)42-29-13-12-24(16-27(29)33)32(41)35-25(17-34-30(40)19-37(4)5)15-22-8-10-23(11-9-22)28-18-38-14-6-7-26(21(3)39)31(38)36-28/h6-14,16,18,20-21,25,39H,15,17,19H2,1-5H3,(H,34,40)(H,35,41)/t21-,25?/m0/s1

InChi Key: WHMXDBPHBVLYRC-BWDMCYIDSA-N

SMILES: C[C@@H](C1=CC=CN2C1=NC(=C2)C3=CC=C(C=C3)CC(CNC(=O)CN(C)C)NC(=O)C4=CC(=C(C=C4)OC(C)C)Cl)O

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04