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The Drug Ontology
Last uploaded:
December 20, 2024
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| Id | http://purl.obolibrary.org/obo/CHEBI_68606
http://purl.obolibrary.org/obo/CHEBI_68606
|
|---|---|
| Preferred Name | rilpivirine |
| Definitions |
An aminopyrimidine that is pyrimidine-2,4-diamine in which the amino groups at positions 2 and 4 are substituted by 4-cyanophenyl and 4-[(E)-2-cyanovinyl]-2,6-dimethylphenyl groups respectively. Used for treatment of HIV.
|
| Synonyms |
rilpivirine
4-{[4-({4-[(E)-2-cyanovinyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile
TMC 278
TMC278
4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| definition | An aminopyrimidine that is pyrimidine-2,4-diamine in which the amino groups at positions 2 and 4 are substituted by 4-cyanophenyl and 4-[(E)-2-cyanovinyl]-2,6-dimethylphenyl groups respectively. Used for treatment of HIV. |
|---|---|
| label |
rilpivirine
|
| prefLabel |
rilpivirine
|
| database_cross_reference |
PMID:22567823
Patent:WO2009007441
PMID:22257626
PMID:22729755
PMID:22504027
PMID:21902621
PMID:22955279
Patent:US2008280849
PMID:20438081
PMID:22293086
CAS:500287-72-9
PMID:25017682
PMID:21763935
PMID:21763936
PMID:19548857
PMID:21860365
PMID:21997204
Wikipedia:Rilpivirine
PMID:21373646
PMID:19048650
PMID:22096405
Patent:WO2007113254
DrugBank:DB08864
PMID:22024527
PMID:22664973
HMDB:HMDB0061725
Patent:WO2007082922
PMID:20160045
Reaxys:9952270
PMID:22406117
PMID:21308448
PMID:22209291
PMID:22878339
PMID:22842995
PMID:15771449
PMID:15771441
PMID:22356290
PMID:22570576
Patent:WO2006035069
Patent:WO2006035068
Patent:WO2006035067
PMID:22921088
KEGG:D09720
PMID:19249947
PMID:22519768
PDBeChem:T27
PMID:22555080
PMID:22067667
PMID:19678794
PMID:22430974
PMID:22951490
PMID:19328850
Patent:WO2004069812
PMID:22343174
Patent:WO2004016581
PMID:21763920
See more
See less
|
| notation |
CHEBI:68606
|
| in_subset | |
| inchi |
InChI=1S/C22H18N6/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)/b4-3+
|
| has_related_synonym |
rilpivirine
4-{[4-({4-[(E)-2-cyanovinyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile
TMC 278
TMC278
|
| id |
CHEBI:68606
|
| charge |
0
|
| has_obo_namespace |
chebi_ontology
|
| formula |
C22H18N6
|
| subClassOf | |
| is conjugate base of | |
| inchikey |
YIBOMRUWOWDFLG-ONEGZZNKSA-N
|
| mass |
366.41850
|
| monoisotopicmass |
366.15929
|
| type | |
| smiles |
Cc1cc(\C=C\C#N)cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1
|
| has_RxCUI |
1102270
|
| has role | |
| has_exact_synonym |
4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile
|
| has characteristic | |
| alternative label |
rilpivirine
4-{[4-({4-[(E)-2-cyanovinyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile
TMC 278
TMC278
4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile
|
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