etravirine
CHEBI:CHEBI_63589
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
Chemical Information
- Molecular Formula
- C20H15BrN6O
- Molecular Mass
- 435.27700
- Charge
- 0
- SMILES
- Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
- 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)
- InChIKey
- PYGWGZALEOIKDF-UHFFFAOYSA-N
Alternative Names
- 4-({6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile
- etravirine
Drug Classification
-
aromatic etherView Class →
CHEBI:35618
-
aminopyrimidineView Class →
CHEBI:38338
-
organobromine compoundView Class →
CHEBI:37141
-
dinitrileView Class →
CHEBI:51308
-
t262659
Important Medical Information
⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.
- Always consult with a healthcare professional before starting, stopping, or modifying any medication.
- Side effects may vary and this list may not be comprehensive.
- Drug interactions may occur with other medications.
Additional Identifiers
- oboInOwl#hasDbXref
- Wikipedia:Etravirine
- DRON_00010000
- 475969
- core#notation
- CHEBI:63589
Additional References
🔍 Click on any linked disease name to learn more about the conditions this medication is used to treat, or explore related drug classifications for more information about similar medications.
Additional Attributes
- oboInOwl#hasOBONamespace
- chebi_ontology
- oboInOwl#hasDbXref
- Wikipedia:Etravirine
- DRON_00010000
- 475969
- oboInOwl#id
- CHEBI:63589
- core#notation
- CHEBI:63589
- oboInOwl#inSubset
- http://purl.obolibrary.org/obo/chebi#3_STAR
- RO_0000087
- http://purl.obolibrary.org/obo/CHEBI_53756
- 22-rdf-syntax-ns#type
- http://www.w3.org/2002/07/owl#Class
- rdf-schema#domain
- https://w3id.org/def/predibionto#has_side_effect30476
- owl#annotatedSource
- t262920
- owl#someValuesFrom
- t1110745