CHEBI:72289 - elvitegravir

Main ChEBI Ontology Automatic Xrefs
ChEBI Name elvitegravir
ChEBI ID CHEBI:72289
Definition A quinolinemonocarboxylic acid that is 7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid substited at position 1 by a 1-hydroxy-3-methylbutan-2-yl group and at position 6 by a 3-chloro-2-fluorobenzyl group (the S-enantiomer). It is used in combination therapy for the treatment of HIV-1 infection.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C23H23ClFNO5
Net Charge 0
Average Mass 447.88400
InChI InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1
InChIKey JUZYLCPPVHEVSV-LJQANCHMSA-N
SMILES COc1cc2n(cc(C(O)=O)c(=O)c2cc1Cc1cccc(Cl)c1F)[C@H](CO)C(C)C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): HIV-1 integrase inhibitor
An inhibitor of HIV-1 integrase, an enzyme required for the integration of the genetic material of the retrovirus into the DNA of the infected cells.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing elvitegravir (CHEBI:72289) has role HIV-1 integrase inhibitor (CHEBI:67268)
elvitegravir (CHEBI:72289) is a aromatic ether (CHEBI:35618)
elvitegravir (CHEBI:72289) is a monochlorobenzenes (CHEBI:83403)
elvitegravir (CHEBI:72289) is a organofluorine compound (CHEBI:37143)
elvitegravir (CHEBI:72289) is a quinolinemonocarboxylic acid (CHEBI:26512)
elvitegravir (CHEBI:72289) is a quinolone (CHEBI:23765)
IUPAC Name
6-(3-chloro-2-fluorobenzyl)-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
INNs Sources
elvitegravir WHO MedNet
elvitegravir WHO MedNet
elvitégravir WHO MedNet
elvitegravirum WHO MedNet
Synonyms Sources
GS 9137 ChemIDplus
GS-9137 KEGG DRUG
Database Links Databases
D06677 KEGG DRUG
Elvitegravir Wikipedia
WO2009089263 Patent
WO2010137032 Patent
WO2011004389 Patent
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Registry Numbers Types Sources
10609264 Reaxys Registry Number Reaxys
697761-98-1 CAS Registry Number ChemIDplus
697761-98-1 CAS Registry Number KEGG DRUG
Citations Waiting for Citations Types Sources
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Last Modified
24 October 2014