loading...| Preferred Name |
etravirine |
|
| Synonyms |
4-({6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile etravirine |
|
| Definitions |
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 |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_63589 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:21637112 PMID:21189339 PMID:21600016 PMID:21881478 PMID:21557669 PMID:25017682 CAS:269055-15-4 KEGG:D04112 PMID:22089378 Reaxys:8945855 PMID:21173188 DrugBank:DB06414 PMID:21464253 PMID:21142266 Wikipedia:Etravirine PMID:22190606 PMID:21114458 PMID:21383098 PMID:22011983 |
|
| 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 |
|
| formula |
C20H15BrN6O |
|
| has role | ||
| has_exact_synonym |
4-({6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
etravirine |
|
| id |
CHEBI:63589 |
|
| in_subset | ||
| 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 |
|
| label |
etravirine |
|
| mass |
435.27700 |
|
| monoisotopicmass |
434.04907 |
|
| notation |
CHEBI:63589 |
|
| prefLabel |
etravirine |
|
| smiles |
Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_51308 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_51308 |