U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H17ClN3O3P
Molecular Weight 413.7947
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of FOSDEVIRINE

SMILES

Cc1cc(/C(/[H])=C(\[H])/C#N)cc(c1)[P@@](=O)(c2c3cc(ccc3[nH]c2C(=N)O)Cl)OC

InChI

InChIKey=CGBYTKOSZYQOPV-CCEZBSFNSA-N
InChI=1S/C20H17ClN3O3P/c1-12-8-13(4-3-7-22)10-15(9-12)28(26,27-2)19-16-11-14(21)5-6-17(16)24-18(19)20(23)25/h3-6,8-11,24H,1-2H3,(H2,23,25)/b4-3+/t28-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H17ClN3O3P
Molecular Weight 413.7947
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

PubMed

PubMed

TitleDatePubMed
Central nervous system disposition and metabolism of Fosdevirine (GSK2248761), a non-nucleoside reverse transcriptase inhibitor: an LC-MS and Matrix-assisted laser desorption/ionization imaging MS investigation into central nervous system toxicity.
2013 Feb 18
Patents
Substance Class Chemical
Created
by admin
on Sat Jun 26 15:04:29 UTC 2021
Edited
by admin
on Sat Jun 26 15:04:29 UTC 2021
Record UNII
Z4I0C281BJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FOSDEVIRINE
INN   USAN   WHO-DD  
USAN   INN  
Official Name English
GSK 2248761A
Code English
FOSDEVIRINE [INN]
Common Name English
PHOSPHINIC ACID, P-(2-(AMINOCARBONYL)-5-CHLORO-1H-INDOL-3-YL)-P-(3-((1E)-2- CYANOETHENYL)-5-METHYLPHENYL)-, METHYL ESTER, (P(R))-
Common Name English
GSK2248761A
Code English
GSK-2248761
Code English
(2-CARBAMOYL-5-CHLORO-1H-INDOL-3-YL)-(3-(E)-2-CYANO-VINYL)-5-METHYL-PHENYL))-(R)-PHOSPINIC ACID METHYL ESTER
Common Name English
METHYL (R)-P-(2-CARBAMOYL-5-CHLORO-1H-INDOL-3-YL)-P-(3-((1E)-2-CYANOETHENYL)-5-METHYLPHENYL)PHOSPHINATE
Systematic Name English
GSK-2248761A
Code English
FOSDEVIRINE [USAN]
Common Name English
IDX-899
Code English
FOSDEVIRINE [WHO-DD]
Common Name English
IDX899
Code English
Code System Code Type Description
FDA UNII
Z4I0C281BJ
Created by admin on Sat Jun 26 15:04:29 UTC 2021 , Edited by admin on Sat Jun 26 15:04:29 UTC 2021
PRIMARY
NCI_THESAURUS
C170008
Created by admin on Sat Jun 26 15:04:29 UTC 2021 , Edited by admin on Sat Jun 26 15:04:29 UTC 2021
PRIMARY
ChEMBL
CHEMBL2104968
Created by admin on Sat Jun 26 15:04:29 UTC 2021 , Edited by admin on Sat Jun 26 15:04:29 UTC 2021
PRIMARY
INN
9289
Created by admin on Sat Jun 26 15:04:29 UTC 2021 , Edited by admin on Sat Jun 26 15:04:29 UTC 2021
PRIMARY
CAS
1018450-26-4
Created by admin on Sat Jun 26 15:04:29 UTC 2021 , Edited by admin on Sat Jun 26 15:04:29 UTC 2021
PRIMARY
PUBCHEM
44224276
Created by admin on Sat Jun 26 15:04:29 UTC 2021 , Edited by admin on Sat Jun 26 15:04:29 UTC 2021
PRIMARY
DRUG BANK
DB06166
Created by admin on Sat Jun 26 15:04:29 UTC 2021 , Edited by admin on Sat Jun 26 15:04:29 UTC 2021
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
TARGET ORGANISM->INHIBITOR
Related Record Type Details
ACTIVE MOIETY