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Archives July 2017

Uncategorized

KIN001-260(ID:10197-102)

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KIN001-260(ID:10197-102) JNK inhibitor

HMS LINCS ID: 10197-102
Name: KIN001-260
Alternative Names: IKK-2 inhibitor VIII; Bayer IKKb inhibitor
LINCS ID: LSM-1198
PubChem CID: 10451420
ChEBI ID:
ChEMBL ID:
Molecular Mass: 364.19
InChi: InChI=1S/C21H24N4O2/c22-11-16-15(14-6-8-24-9-7-14)10-17(25-21(16)23)20-18(26)2-1-3-19(20)27-12-13-4-5-13/h1-3,10,13-14,24-25H,4-9,12,23H2/b20-17+
InChi Key: DWQVGCQPWXKRKO-LVZFUZTISA-N
SMILES: C1CC1COC2=CC=CC(=O)/C2=C3/C=C(C(=C(N3)N)C#N)C4CCNCC4
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-08-17

PMID: 1330643

Uncategorized

KIN001-270(ID:10196-101)

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KIN001-270(ID:10196-101) ONC-201

HMS LINCS ID: 10196-101
Name: KIN001-270
Alternative Names:
LINCS ID: LSM-1197
PubChem CID: 66577006
ChEBI ID:
ChEMBL ID:
Molecular Mass: 499.13
InChi: InChI=1S/C26H21N5O4S/c1-16-10-11-18(13-22(16)30-36(2,34)35)29-24-14-23(27-15-28-24)17-6-5-7-19(12-17)31-25(32)20-8-3-4-9-21(20)26(31)33/h3-15,30H,1-2H3,(H,27,28,29)
InChi Key: CKUFOBCNTCLXJP-UHFFFAOYSA-N
SMILES: CC1=C(C=C(C=C1)NC2=NC=NC(=C2)C3=CC(=CC=C3)N4C(=O)C5=CC=CC=C5C4=O)NS(=O)(=O)C
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 1535317

Uncategorized

KIN001-269(ID:10195-101)

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KIN001-269(ID:10195-101) TIC-10

HMS LINCS ID: 10195-101
Name: KIN001-269
Alternative Names:
LINCS ID: LSM-1196
PubChem CID: 11654378
ChEBI ID:
ChEMBL ID:
Molecular Mass: 406.25
InChi: InChI=1S/C23H30N6O/c1-17-5-7-29(8-6-17)22-14-19(28-11-9-27(2)10-12-28)3-4-20(22)26-23(30)21-13-18(15-24)16-25-21/h3-4,13-14,16-17,25H,5-12H2,1-2H3,(H,26,30)
InChi Key: DXPSQKSTVIVZLV-UHFFFAOYSA-N
SMILES: CC1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C)NC(=O)C4=CC(=CN4)C#N
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 1432690

Uncategorized

Cabozantinib(ID:10194-106)

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Cabozantinib(ID:10194-106) 1616632-77-9

HMS LINCS ID: 10194-106
Name: Cabozantinib
Alternative Names: XL-184; BMS-907351
LINCS ID: LSM-1195
PubChem CID: 25102847
ChEBI ID:
ChEMBL ID:
Molecular Mass: 501.17
InChi: InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)
InChi Key: ONIQOQHATWINJY-UHFFFAOYSA-N
SMILES: COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 16865095

Uncategorized

Kin236(ID:10193-101)

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Kin236(ID:10193-101) TIC10

HMS LINCS ID: 10193-101
Name: Kin236
Alternative Names: Tie2 kinase inhibitor
LINCS ID: LSM-1194
PubChem CID: 23625762
ChEBI ID:
ChEMBL ID:
Molecular Mass: 439.14
InChi: InChI=1S/C26H21N3O2S/c1-31-22-8-5-19-15-21(4-3-20(19)16-22)25-24(17-11-13-27-14-12-17)28-26(29-25)18-6-9-23(10-7-18)32(2)30/h3-16H,1-2H3,(H,28,29)
InChi Key: SINQIEAULQKUPD-UHFFFAOYSA-N
SMILES: COC1=CC2=C(C=C1)C=C(C=C2)C3=C(NC(=N3)C4=CC=C(C=C4)S(=O)C)C5=CC=NC=C5
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 18044950

Uncategorized

KW2449(ID:10192-101)

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KW2449(ID:10192-101) LGX-818

HMS LINCS ID: 10192-101
Name: KW2449
Alternative Names: KW-2449
LINCS ID: LSM-1193
PubChem CID: 67089852
ChEBI ID:
ChEMBL ID:
Molecular Mass: 332.16
InChi: InChI=1S/C20H20N4O/c25-20(24-13-11-21-12-14-24)16-8-5-15(6-9-16)7-10-19-17-3-1-2-4-18(17)22-23-19/h1-10,21H,11-14H2,(H,22,23)
InChi Key: YYLKKYCXAOBSRM-UHFFFAOYSA-N
SMILES: C1CN(CCN1)C(=O)C2=CC=C(C=C2)C=CC3=NNC4=CC=CC=C43
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 24566060

Uncategorized

HMN-214(ID:10191-101)

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HMN-214(ID:10191-101) Encorafenib

HMS LINCS ID: 10191-101
Name: HMN-214
Alternative Names:
LINCS ID: LSM-1192
PubChem CID: 54143018
ChEBI ID:
ChEMBL ID:
Molecular Mass: 424.11
InChi: InChI=1S/C22H20N2O5S/c1-17(25)24(30(27,28)21-11-9-20(29-2)10-12-21)22-6-4-3-5-19(22)8-7-18-13-15-23(26)16-14-18/h3-16H,1-2H3
InChi Key: OCKHRKSTDPOHEN-UHFFFAOYSA-N
SMILES: CC(=O)N(C1=CC=CC=C1C=CC2=CC=[N+](C=C2)[O-])S(=O)(=O)C3=CC=C(C=C3)OC
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 17320917

Uncategorized

PIK-93(ID:10190-101)

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PIK-93(ID:10190-101) LGX818

HMS LINCS ID: 10190-101
Name: PIK-93
Alternative Names:
LINCS ID: LSM-1191
PubChem CID: 6852167
ChEBI ID:
ChEMBL ID:
Molecular Mass: 389.03
InChi: InChI=1S/C14H16ClN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20)
InChi Key: JFVNFXCESCXMBC-UHFFFAOYSA-N
SMILES: CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 18455201

Uncategorized

Bosutinib(ID:10189-101)

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Bosutinib(ID:10189-101) GS-9620

HMS LINCS ID: 10189-101
Name: Bosutinib
Alternative Names: SKI-606
LINCS ID: LSM-1190
PubChem CID: 5328940
ChEBI ID:
ChEMBL ID:
Molecular Mass: 529.16
InChi: InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
InChi Key: UBPYILGKFZZVDX-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 10928964

Uncategorized

BX795(ID:10188-101)

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BX795(ID:10188-101) 53003-10-4

HMS LINCS ID: 10188-101
Name: BX795
Alternative Names:
LINCS ID: LSM-1189
PubChem CID: 10077147
ChEBI ID:
ChEMBL ID:
Molecular Mass: 591.09
InChi: InChI=1S/C23H26IN7O2S/c24-18-15-27-22(30-20(18)25-9-5-10-26-21(32)19-8-4-13-34-19)28-16-6-3-7-17(14-16)29-23(33)31-11-1-2-12-31/h3-4,6-8,13-15H,1-2,5,9-12H2,(H,26,32)(H,29,33)(H2,25,27,28,30)
InChi Key: VAVXGGRQQJZYBL-UHFFFAOYSA-N
SMILES: C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 10780993