CHEBI:68602 - rilpivirine hydrochloride

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ChEBI Name rilpivirine hydrochloride
ChEBI ID CHEBI:68602
Definition A hydrochloride obtained by reaction of rilpivirine with one equivalent of hydrochloric acid. Used for treatment of HIV.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C22H19ClN6
Net Charge 0
Average Mass 402.87900
Monoisotopic Mass 402.13597
InChI InChI=1S/C22H18N6.ClH/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19;/h3-9,11-13H,1-2H3,(H2,25,26,27,28);1H/b4-3+;
InChIKey KZVVGZKAVZUACK-BJILWQEISA-N
SMILES Cl.Cc1cc(\C=C\C#N)cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1
Roles Classification
Biological Role(s): EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
A DNA polymerase inhibitor that interferes with the activity of reverse transcriptase, EC 2.7.7.49, a viral DNA polymerase enzyme that retroviruses need in order to reproduce.
HIV-1 reverse transcriptase inhibitor
An entity which inhibits the activity of HIV-1 reverse transcriptase.
Application(s): prodrug
A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
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ChEBI Ontology
Outgoing rilpivirine hydrochloride (CHEBI:68602) has part rilpivirine(1+) (CHEBI:68605)
rilpivirine hydrochloride (CHEBI:68602) has role EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor (CHEBI:59897)
rilpivirine hydrochloride (CHEBI:68602) has role HIV-1 reverse transcriptase inhibitor (CHEBI:53756)
rilpivirine hydrochloride (CHEBI:68602) has role prodrug (CHEBI:50266)
rilpivirine hydrochloride (CHEBI:68602) is a hydrochloride (CHEBI:36807)
Incoming Odefsey (CHEBI:133010) has part rilpivirine hydrochloride (CHEBI:68602)
IUPAC Name
4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile hydrochloride
Synonyms Sources
4-{[4-({4-[(E)-2-cyanovinyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile hydrochloride IUPAC
rilpivirine monohydrochloride ChEBI
TMC278 hydrochloride ChemIDplus
Brand Name Source
Edurant KEGG DRUG
Manual Xrefs Databases
D09958 KEGG DRUG
DBSALT000152 DrugBank
WO2007147882 Patent
View more database links
Registry Numbers Types Sources
700361-47-3 CAS Registry Number KEGG DRUG
700361-47-3 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
21225012 PubMed citation Europe PMC
22257626 PubMed citation Europe PMC
Last Modified
17 September 2021