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CHEBI:229854 - fosdevirine

Default Structure
ChEBI IDCHEBI:229854
ChEBI Namefosdevirine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H17ClN3O3P
Net Charge0
Average Mass413.801
Monoisotopic Mass413.06961
SMILESCO[P@](=O)(c1cc(C)cc(/C=C/C#N)c1)c1c(C(N)=O)nc2ccc(Cl)cc12
InChIInChI=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-/m1/s1
InChIKeyCGBYTKOSZYQOPV-ASSBYYIWSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
fosdevirine (CHEBI:229854) is a indolecarboxamide (CHEBI:46921)
fosdevirine (CHEBI:229854) is a indolyl carboxylic acid (CHEBI:46867)
fosdevirine (CHEBI:229854) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
5-chloro-3-[[3-[(E)-2-cyanoethenyl]-5-methylphenyl]-methoxyphosphoryl]-1H-indole-2-carboxamide
INNs  Source
fosdevirinaWHO MedNet
fosdevirineWHO MedNet
Synonyms  Source
GSK-2248761ChEMBL
GSK 2248761AChEMBL
GSK-2248761AChEMBL
GSK2248761AChEMBL
IDX-899ChEMBL
IDX899ChEMBL
Manual XrefsDatabases
28529638ChemSpider
D09906KEGG DRUG
Citations