CHEBI:63589 - etravirine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name etravirine
Definition An aminopyrimidine that consists of 2,6-diaminopyrimidine bearing a bromo substituent at position 5, a 4-cyano-2,6-dimethylphenoxy substituent at position 4 and having a 4-cyanophenyl substituent attached to the 2-amino group. NNRTI of HIV-1, binds directly to RT and blocks RNA-dependent and DNA-dependent DNA polymerase activities
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anonymous
Supplier Information
Download Molfile XML SDF
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C20H15BrN6O
Net Charge 0
Average Mass 435.27700
Monoisotopic Mass 434.04907
InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): HIV-1 reverse transcriptase inhibitor
An entity which inhibits the activity of HIV-1 reverse transcriptase.
antiviral agent
A substance that destroys or inhibits replication of viruses.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing etravirine (CHEBI:63589) has role antiviral agent (CHEBI:22587)
etravirine (CHEBI:63589) has role HIV-1 reverse transcriptase inhibitor (CHEBI:53756)
etravirine (CHEBI:63589) is a aminopyrimidine (CHEBI:38338)
etravirine (CHEBI:63589) is a aromatic ether (CHEBI:35618)
etravirine (CHEBI:63589) is a dinitrile (CHEBI:51308)
etravirine (CHEBI:63589) is a organobromine compound (CHEBI:37141)
INN Source
etravirine KEGG DRUG
Manual Xrefs Databases
DB06414 DrugBank
Etravirine Wikipedia
View more database links
Registry Numbers Types Sources
269055-15-4 CAS Registry Number KEGG DRUG
269055-15-4 CAS Registry Number ChemIDplus
8945855 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
21114458 PubMed citation Europe PMC
21142266 PubMed citation Europe PMC
21173188 PubMed citation Europe PMC
21189339 PubMed citation Europe PMC
21383098 PubMed citation Europe PMC
21464253 PubMed citation Europe PMC
21557669 PubMed citation Europe PMC
21600016 PubMed citation Europe PMC
21637112 PubMed citation Europe PMC
21881478 PubMed citation Europe PMC
22011983 PubMed citation Europe PMC
22089378 PubMed citation Europe PMC
22190606 PubMed citation Europe PMC
25017682 PubMed citation Europe PMC
Last Modified
16 September 2014