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Archives July 2017

Uncategorized

LDN-193189(ID:10115-102)

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LDN-193189(ID:10115-102) BYL719

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

PMID: 22589534

Uncategorized

Pazopanib(ID:10114-102)

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Pazopanib(ID:10114-102) BYL 719

HMS LINCS ID: 10114-102
Name: Pazopanib
Alternative Names: GW786034; Vodivient
LINCS ID: LSM-1114
PubChem CID: 10113978
ChEBI ID:
ChEMBL ID:
Molecular Mass: 437.16
InChi: InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25)
InChi Key: CUIHSIWYWATEQL-UHFFFAOYSA-N
SMILES: CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 25922425

Uncategorized

Kin237(ID:10113-101)

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Kin237(ID:10113-101) BYL-719

HMS LINCS ID: 10113-101
Name: Kin237
Alternative Names: Kin001-237; c-Met/Ron dual kinase inhibitor
LINCS ID: LSM-1113
PubChem CID: 16757524
ChEBI ID:
ChEMBL ID:
Molecular Mass: 556.21
InChi: InChI=1S/C31H29FN4O5/c1-19-28(30(38)36(21-8-6-5-7-9-21)35(19)18-31(2,3)39)29(37)34-20-10-13-27(24(32)16-20)41-26-14-15-33-25-17-22(40-4)11-12-23(25)26/h5-17,39H,18H2,1-4H3,(H,34,37)
InChi Key: UYMSIPINLJNNOU-UHFFFAOYSA-N
SMILES: CC1=C(C(=O)N(N1CC(C)(C)O)C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)OC4=C5C=CC(=CC5=NC=C4)OC)F
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 27874067

Uncategorized

PF477736(ID:10112-101)

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PF477736(ID:10112-101) c-Kit-IN-1

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

PMID: 2900320

Uncategorized

TWS119(ID:10111-101)

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TWS119(ID:10111-101) STA9090

HMS LINCS ID: 10111-101
Name: TWS119
Alternative Names:
LINCS ID: LSM-1111
PubChem CID: 9549289
ChEBI ID:
ChEMBL ID:
Molecular Mass: 318.11
InChi: InChI=1S/C18H14N4O2/c19-12-4-1-3-11(7-12)16-9-15-17(22-16)20-10-21-18(15)24-14-6-2-5-13(23)8-14/h1-10,23H,19H2,(H,20,21,22)
InChi Key: VPVLEBIVXZSOMQ-UHFFFAOYSA-N
SMILES: C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 2521513

Uncategorized

FR180204(ID:10110-101)

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FR180204(ID:10110-101) STA 9090

HMS LINCS ID: 10110-101
Name: FR180204
Alternative Names: FR 180204; KIN001-230
LINCS ID: LSM-1110
PubChem CID: 11493598
ChEBI ID:
ChEMBL ID:
Molecular Mass: 327.12
InChi: InChI=1S/C18H13N7/c19-17-12-10-13(20-22-18(12)23-21-17)15-14-8-4-5-9-25(14)24-16(15)11-6-2-1-3-7-11/h1-10H,(H3,19,21,22,23)
InChi Key: XVECMUKVOMUNLE-UHFFFAOYSA-N
SMILES: C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-05-06

PMID: 9213211

Uncategorized

YM 201636(ID:10109-101)

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YM 201636(ID:10109-101) STA-9090

HMS LINCS ID: 10109-101
Name: YM 201636
Alternative Names: Kin001-170
LINCS ID: LSM-1109
PubChem CID: 9956222
ChEBI ID:
ChEMBL ID:
Molecular Mass: 467.17
InChi: InChI=1S/C25H21N7O3/c26-19-7-6-16(14-28-19)24(33)29-17-4-1-3-15(13-17)22-30-20-18-5-2-8-27-25(18)35-21(20)23(31-22)32-9-11-34-12-10-32/h1-8,13-14H,9-12H2,(H2,26,28)(H,29,33)
InChi Key: YBPIBGNBHHGLEB-UHFFFAOYSA-N
SMILES: C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 10328995

Uncategorized

PD0325901(ID:10101-101)

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PD0325901(ID:10101-101) Ganetespib

HMS LINCS ID: 10101-101
Name: PD0325901
Alternative Names: PD-325901
LINCS ID: LSM-1101
PubChem CID: 9826528
ChEBI ID:
ChEMBL ID:
Molecular Mass: 482.00
InChi: InChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1
InChi Key: SUDAHWBOROXANE-SECBINFHSA-N
SMILES: C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 1654255

Uncategorized

JNK-9L(ID:10100-101)

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JNK-9L(ID:10100-101) Tonabersat

HMS LINCS ID: 10100-101
Name: JNK-9L
Alternative Names: KIN001-204
LINCS ID: LSM-36386
PubChem CID: 25222038
ChEBI ID:
ChEMBL ID:
Molecular Mass: 502.22
InChi: InChI=1S/C26H27FN8O2/c27-20-15-19(16-23(17-20)33-7-11-36-12-8-33)24-5-6-28-25(31-24)30-21-1-3-22(4-2-21)35-18-29-26(32-35)34-9-13-37-14-10-34/h1-6,15-18H,7-14H2,(H,28,30,31)
InChi Key: AHMHIFXJPSHHPH-UHFFFAOYSA-N
SMILES: C1COCCN1C2=CC(=CC(=C2)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5C=NC(=N5)N6CCOCC6)F
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 1331590

Uncategorized

Nilotinib(ID:10099-101)

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Nilotinib(ID:10099-101) ARRY 162

HMS LINCS ID: 10099-101
Name: Nilotinib
Alternative Names: AMN-107
LINCS ID: LSM-1099
PubChem CID: 644241
ChEBI ID:
ChEMBL ID: 255863
Molecular Mass: 529.18
InChi: InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
InChi Key: HHZIURLSWUIHRB-UHFFFAOYSA-N
SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)N3C=C(N=C3)C)C(F)(F)F)NC4=NC=CC(=N4)C5=CN=CC=C5
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 8107329