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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H28F3N5O2S
Molecular Weight 543.604
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GSK-461364

SMILES

C[C@@H](OC1=C(SC(=C1)N2C=NC3=CC=C(CN4CCN(C)CC4)C=C23)C(N)=O)C5=CC=CC=C5C(F)(F)F

InChI

InChIKey=ZHJGWYRLJUCMRT-QGZVFWFLSA-N
InChI=1S/C27H28F3N5O2S/c1-17(19-5-3-4-6-20(19)27(28,29)30)37-23-14-24(38-25(23)26(31)36)35-16-32-21-8-7-18(13-22(21)35)15-34-11-9-33(2)10-12-34/h3-8,13-14,16-17H,9-12,15H2,1-2H3,(H2,31,36)/t17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H28F3N5O2S
Molecular Weight 543.604
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:35:37 UTC 2023
Edited
by admin
on Sat Dec 16 08:35:37 UTC 2023
Record UNII
8QO27TK6Q4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GSK-461364
Code English
5-(6-((4-METHYLPIPERAZIN-1-YL)METHYL)-1H-BENZIMIDAZOL-1-YL)-3-(((1R)-1-(2-(TRIFLUOROMETHYL)PHENYL)ETHYL)OXY)THIOPHENE-2-CARBOXAMIDE
Systematic Name English
GSK-461364A
Code English
2-THIOPHENECARBOXAMIDE, 5-(6-((4-METHYL-1-PIPERAZINYL)METHYL)-1H-BENZIMIDAZOL-1-YL)-3-((1R)-1-(2-(TRIFLUOROMETHYL)PHENYL)ETHOXY)-
Systematic Name English
GSK461364
Code English
GSK 461364 [WHO-DD]
Common Name English
Code System Code Type Description
NCI_THESAURUS
C70948
Created by admin on Sat Dec 16 08:35:37 UTC 2023 , Edited by admin on Sat Dec 16 08:35:37 UTC 2023
PRIMARY
FDA UNII
8QO27TK6Q4
Created by admin on Sat Dec 16 08:35:37 UTC 2023 , Edited by admin on Sat Dec 16 08:35:37 UTC 2023
PRIMARY
SMS_ID
300000041494
Created by admin on Sat Dec 16 08:35:37 UTC 2023 , Edited by admin on Sat Dec 16 08:35:37 UTC 2023
PRIMARY
PUBCHEM
15983966
Created by admin on Sat Dec 16 08:35:37 UTC 2023 , Edited by admin on Sat Dec 16 08:35:37 UTC 2023
PRIMARY
CAS
929095-18-1
Created by admin on Sat Dec 16 08:35:37 UTC 2023 , Edited by admin on Sat Dec 16 08:35:37 UTC 2023
PRIMARY
EPA CompTox
DTXSID60239197
Created by admin on Sat Dec 16 08:35:37 UTC 2023 , Edited by admin on Sat Dec 16 08:35:37 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
atp
COMPETITIVE INHIBITOR
IC50
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ACTIVE MOIETY