HMS LINCS ID: 10179-101

Name: ABT-737

Alternative Names:

LINCS ID: LSM-1180

PubChem CID: 11228183

ChEBI ID:

ChEMBL ID:

Molecular Mass: 812.26

InChi: InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1

InChi Key: HPLNQCPCUACXLM-PGUFJCEWSA-N

SMILES: CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10161-101

Name: Luminespib

Alternative Names: NVP-AUY922

LINCS ID: LSM-1162

PubChem CID: 53401173

ChEBI ID:

ChEMBL ID:

Molecular Mass: 465.23

InChi: InChI=1S/C26H31N3O5/c1-4-27-26(32)24-23(18-7-5-17(6-8-18)15-29-9-11-33-12-10-29)25(34-28-24)20-13-19(16(2)3)21(30)14-22(20)31/h5-8,13-14,16,28,30H,4,9-12,15H2,1-3H3,(H,27,32)

InChi Key: SWDZPNJZKUGIIH-UHFFFAOYSA-N

SMILES: CCNC(=O)C1=C(C(=C2C=C(C(=CC2=O)O)C(C)C)ON1)C3=CC=C(C=C3)CN4CCOCC4

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-07-12

HMS LINCS ID: 10155-101

Name: KU-60019

Alternative Names:

LINCS ID: LSM-1156

PubChem CID: 16117018

ChEBI ID:

ChEMBL ID:

Molecular Mass: 547.21

InChi: InChI=1S/C30H33N3O5S/c1-19-16-32(17-20(2)37-19)18-28(35)31-23-6-7-27-22(13-23)12-21-4-3-5-25(30(21)39-27)26-14-24(34)15-29(38-26)33-8-10-36-11-9-33/h3-7,13-15,19-20H,8-12,16-18H2,1-2H3,(H,31,35)

InChi Key: SCELLOWTHJGVIC-UHFFFAOYSA-N

SMILES: CC1CN(CC(O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C=CC=C4C3)C5=CC(=O)C=C(O5)N6CCOCC6

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10154-101

Name: AT7867

Alternative Names:

LINCS ID: LSM-1155

PubChem CID: 11175137

ChEBI ID:

ChEMBL ID:

Molecular Mass: 337.13

InChi: InChI=1S/C20H20ClN3/c21-19-7-5-18(6-8-19)20(9-11-22-12-10-20)17-3-1-15(2-4-17)16-13-23-24-14-16/h1-8,13-14,22H,9-12H2,(H,23,24)

InChi Key: LZMOSYUFVYJEPY-UHFFFAOYSA-N

SMILES: C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10152-101

Name: MK 1775

Alternative Names:

LINCS ID: LSM-1153

PubChem CID: 24856436

ChEBI ID:

ChEMBL ID:

Molecular Mass: 500.26

InChi: InChI=1S/C27H32N8O2/c1-5-13-34-25(36)21-18-28-26(29-19-9-11-20(12-10-19)33-16-14-32(4)15-17-33)31-24(21)35(34)23-8-6-7-22(30-23)27(2,3)37/h5-12,18,37H,1,13-17H2,2-4H3,(H,28,29,31)

InChi Key: BKWJAKQVGHWELA-UHFFFAOYSA-N

SMILES: CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10131-101

Name: Tivantinib

Alternative Names: ARQ197

LINCS ID: LSM-1131

PubChem CID: 11494412

ChEBI ID:

ChEMBL ID:

Molecular Mass: 369.15

InChi: InChI=1S/C23H19N3O2/c27-22-19(16-11-24-18-9-2-1-7-14(16)18)20(23(28)25-22)17-12-26-10-4-6-13-5-3-8-15(17)21(13)26/h1-3,5,7-9,11-12,19-20,24H,4,6,10H2,(H,25,27,28)/t19-,20-/m0/s1

InChi Key: UCEQXRCJXIVODC-PMACEKPBSA-N

SMILES: C1CC2=CC=CC3=C2N(C1)C=C3[C@H]4[C@@H](C(=O)NC4=O)C5=CNC6=CC=CC=C65

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10124-101

Name: MGCD265

Alternative Names:

LINCS ID: LSM-1124

PubChem CID: 24901704

ChEBI ID:

ChEMBL ID:

Molecular Mass: 517.10

InChi: InChI=1S/C26H20FN5O2S2/c1-32-14-20(29-15-32)23-13-19-25(36-23)22(9-10-28-19)34-21-8-7-17(12-18(21)27)30-26(35)31-24(33)11-16-5-3-2-4-6-16/h2-10,12-15H,11H2,1H3,(H2,30,31,33,35)

InChi Key: UFICVEHDQUKCEA-UHFFFAOYSA-N

SMILES: CN1C=C(N=C1)C2=CC3=NC=CC(=C3S2)OC4=C(C=C(C=C4)NC(=S)NC(=O)CC5=CC=CC=C5)F

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10122-101

Name: NVP-AEW541

Alternative Names: AEW541

LINCS ID: LSM-1122

PubChem CID: 11476171

ChEBI ID:

ChEMBL ID:

Molecular Mass: 439.24

InChi: InChI=1S/C27H29N5O/c28-26-25-24(21-8-4-9-23(14-21)33-17-19-6-2-1-3-7-19)16-32(27(25)30-18-29-26)22-12-20(13-22)15-31-10-5-11-31/h1-4,6-9,14,16,18,20,22H,5,10-13,15,17H2,(H2,28,29,30)

InChi Key: AECDBHGVIIRMOI-UHFFFAOYSA-N

SMILES: C1CN(C1)CC2CC(C2)N3C=C(C4=C3N=CN=C4N)C5=CC(=CC=C5)OCC6=CC=CC=C6

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10115-102

Name: LDN-193189

Alternative Names: DM 3189

LINCS ID: LSM-1115

PubChem CID: 25195294

ChEBI ID:

ChEMBL ID:

Molecular Mass: 406.19

InChi: InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2

InChi Key: CDOVNWNANFFLFJ-UHFFFAOYSA-N

SMILES: C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10112-101

Name: PF477736

Alternative Names:

LINCS ID: LSM-1112

PubChem CID: 16750408

ChEBI ID:

ChEMBL ID:

Molecular Mass: 419.21

InChi: InChI=1S/C22H25N7O2/c1-29-11-13(9-25-29)20-16-10-24-28-21(30)15-7-14(8-17(27-20)18(15)16)26-22(31)19(23)12-5-3-2-4-6-12/h7-12,19,24H,2-6,23H2,1H3,(H,26,31)(H,28,30)/t19-/m1/s1

InChi Key: YFNWWNRZJGMDBR-LJQANCHMSA-N

SMILES: CN1C=C(C=N1)C2=NC3=C4C2=CNNC(=O)C4=CC(=C3)NC(=O)[C@@H](C5CCCCC5)N

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04