Archives July 2017

BAY61-3606(ID:10166-101)

BAY61-3606(ID:10166-101) GDC-0199

HMS LINCS ID: 10166-101
Name: BAY61-3606
Alternative Names:
LINCS ID: LSM-1167
PubChem CID: 10200390
ChEBI ID:
ChEMBL ID: 1190711
Molecular Mass: 390.14
InChi: InChI=1S/C20H18N6O3/c1-28-15-6-5-12(10-16(15)29-2)14-11-17-22-8-9-26(17)20(24-14)25-19-13(18(21)27)4-3-7-23-19/h3-11H,1-2H3,(H2,21,27)(H,23,24,25)
InChi Key: JWQOJVOKBAAAAR-UHFFFAOYSA-N
SMILES: COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 16055331

PF04217903(ID:10165-101)

PF04217903(ID:10165-101) ABT-199

HMS LINCS ID: 10165-101
Name: PF04217903
Alternative Names:
LINCS ID: LSM-1166
PubChem CID: 17754438
ChEBI ID:
ChEMBL ID:
Molecular Mass: 372.14
InChi: InChI=1S/C19H16N8O/c28-7-6-26-12-15(9-22-26)17-10-21-18-19(23-17)27(25-24-18)11-13-3-4-16-14(8-13)2-1-5-20-16/h1-5,8-10,12,28H,6-7,11H2
InChi Key: PDMUGYOXRHVNMO-UHFFFAOYSA-N
SMILES: C1=CC2=C(C=CC(=C2)CN3C4=NC(=CN=C4N=N3)C5=CN(N=C5)CCO)N=C1
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 23554310

AZD8330(ID:10164-101)

AZD8330(ID:10164-101) LCL 161

HMS LINCS ID: 10164-101
Name: AZD8330
Alternative Names: ARRY-424704; ARRY-704
LINCS ID: LSM-1165
PubChem CID: 16666708
ChEBI ID:
ChEMBL ID:
Molecular Mass: 461.02
InChi: InChI=1S/C16H17FIN3O4/c1-9-7-11(15(23)20-25-6-5-22)14(21(2)16(9)24)19-13-4-3-10(18)8-12(13)17/h3-4,7-8,19,22H,5-6H2,1-2H3,(H,20,23)
InChi Key: RWEVIPRMPFNTLO-UHFFFAOYSA-N
SMILES: CC1=CC(=C(N(C1=O)C)NC2=C(C=C(C=C2)I)F)C(=O)NOCCO
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 23764286

BIX 02189(ID:10163-101)

BIX 02189(ID:10163-101) LCL-161

HMS LINCS ID: 10163-101
Name: BIX 02189
Alternative Names:
LINCS ID: LSM-1164
PubChem CID:
ChEBI ID:
ChEMBL ID:
Molecular Mass: 440.22
InChi: InChI=1S/C27H28N4O2/c1-30(2)17-18-9-8-12-21(15-18)28-25(19-10-6-5-7-11-19)24-22-14-13-20(27(33)31(3)4)16-23(22)29-26(24)32/h5-16,28H,17H2,1-4H3,(H,29,32)
InChi Key: HOMJAAIVTDVQJA-UHFFFAOYSA-N
SMILES: CN(C)CC1=CC(=CC=C1)NC(=C2C3=C(C=C(C=C3)C(=O)N(C)C)NC2=O)C4=CC=CC=C4
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 27874831

SP600125(ID:10162-101)

SP600125(ID:10162-101) LCL161

HMS LINCS ID: 10162-101
Name: SP600125
Alternative Names:
LINCS ID: LSM-1163
PubChem CID: 8515
ChEBI ID:
ChEMBL ID:
Molecular Mass: 220.06
InChi: InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)
InChi Key: ACPOUJIDANTYHO-UHFFFAOYSA-N
SMILES: C1=CC=C2C(=C1)C3=NNC4=CC=CC(=C43)C2=O
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 1359584

Luminespib(ID:10161-101)

Luminespib(ID:10161-101) MELK inhibitor

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

PMID: 1325915

SB 216763(ID:10160-101)

SB 216763(ID:10160-101) Picropodophyllin

HMS LINCS ID: 10160-101
Name: SB 216763
Alternative Names:
LINCS ID: LSM-1161
PubChem CID: 176158
ChEBI ID:
ChEMBL ID:
Molecular Mass: 370.03
InChi: InChI=1S/C19H12Cl2N2O2/c1-23-9-13(11-4-2-3-5-15(11)23)17-16(18(24)22-19(17)25)12-7-6-10(20)8-14(12)21/h2-9H,1H3,(H,22,24,25)
InChi Key: JCSGFHVFHSKIJH-UHFFFAOYSA-N
SMILES: CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 8401931

Pelitinib(ID:10159-101)

Pelitinib(ID:10159-101) Basimglurant

HMS LINCS ID: 10159-101
Name: Pelitinib
Alternative Names: EKB-569
LINCS ID: LSM-1160
PubChem CID: 216467
ChEBI ID:
ChEMBL ID:
Molecular Mass: 467.15
InChi: InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)
InChi Key: WVUNYSQLFKLYNI-UHFFFAOYSA-N
SMILES: CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)C=CCN(C)C
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 16516972

AZD 5438(ID:10158-101)

AZD 5438(ID:10158-101) mGluR5 inhibitor

HMS LINCS ID: 10158-101
Name: AZD 5438
Alternative Names: KIN001-239
LINCS ID: LSM-1159
PubChem CID: 16747683
ChEBI ID:
ChEMBL ID:
Molecular Mass: 371.14
InChi: InChI=1S/C18H21N5O2S/c1-12(2)23-13(3)20-11-17(23)16-9-10-19-18(22-16)21-14-5-7-15(8-6-14)26(4,24)25/h5-12H,1-4H3,(H,19,21,22)
InChi Key: WJRRGYBTGDJBFX-UHFFFAOYSA-N
SMILES: CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 16846620

Foretinib(ID:10157-101)

Foretinib(ID:10157-101) CTEP

HMS LINCS ID: 10157-101
Name: Foretinib
Alternative Names: XL880; GSK1363089
LINCS ID: LSM-1158
PubChem CID: 42642645
ChEBI ID:
ChEMBL ID:
Molecular Mass: 632.24
InChi: InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)
InChi Key: CXQHYVUVSFXTMY-UHFFFAOYSA-N
SMILES: COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 8258837