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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
| Id | http://purl.obolibrary.org/obo/CHEBI_72292
http://purl.obolibrary.org/obo/CHEBI_72292
|
|---|---|
| Preferred Name | bedaquiline |
| Synonyms |
(1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-(1-naphthyl)-1-phenylbutan-2-ol
bedaquiline
TMC-207
R207910
bedaquilina
C32H31BrN2O2
TMC 207
bedaquilinum
(1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-(naphthalen-1-yl)-1-phenylbutan-2-ol
R 207910
TMC207
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|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| prefLabel | bedaquiline
|
|---|---|
| label | bedaquiline
|
| DBSynonym |
tmc207
aids222089
r207910
|
| ATCCode | J04AK05
|
| Definition | Bedaquiline is a bactericidal antimycobacterial drug. Chemically it is a diarylquinoline. FDA approved on December 28, 2012.
A quinoline-based antimycobacterial drug used (as its fumarate salt) for the treatment of pulmonary multi-drug resistant tuberculosis by inhibition of ATP synthase, an enzyme essential for the replication of the mycobacteria.
|
| DBSalt | bedaquiline fumarate
|
| has pharmacological target | |
| inhibits | |
| type | |
| has role | |
| InChIKey | InChIKey=QUIJNHUBAXPXFS-XLJNKUFUSA-N
|
| is metabolised by | |
| AHFScode | 8:16.04
|
| Synonym |
(1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-(1-naphthyl)-1-phenylbutan-2-ol
bedaquiline
TMC-207
R207910
bedaquilina
C32H31BrN2O2
TMC 207
bedaquilinum
(1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-(naphthalen-1-yl)-1-phenylbutan-2-ol
R 207910
TMC207
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|
| xref |
CASRN:843663-66-1
CiteXplore:23291974
CiteXplore:23089752
CiteXplore:22470112
CiteXplore:18948422
National Drug Code Directory:59676-701-01
CiteXplore:22332895
CiteXplore:22391540
ChEMBL:473981
Wikipedia:Bedaquiline
CiteXplore:21659613
CiteXplore:22991970
RxList:http://www.rxlist.com/sirturo-drug.htm
CiteXplore:22622957
CiteXplore:22926573
CiteXplore:20038615
CiteXplore:21877185
CiteXplore:22155815
CiteXplore:22762423
CiteXplore:22279595
CiteXplore:21858172
Patent:WO2005117875
Wikipedia:http://en.wikipedia.org/wiki/Bedaquiline
ChEBI:72292
Patent:WO2006067048
CiteXplore:19954909
Reaxys:10733008
KEGG DRUG:D09872
CiteXplore:22828481
CiteXplore:22126739
CiteXplore:22354303
CiteXplore:22615276
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|
| CASRN | 843663-66-1
|
| prefixIRI | obo2:CHEBI_72292
|
| SMILES |
COC1=NC2=C(C=C(Br)C=C2)C=C1[C@@H](C1=CC=CC=C1)[C@@](O)(CCN(C)C)C1=CC=CC2=C1C=CC=C2
COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12
|
| may interact with | |
| InChI | InChI=1S/C32H31BrN2O2/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3/h4-17,20-21,30,36H,18-19H2,1-3H3/t30-,32-/m1/s1
|
| DBBrand | sirturo
|
| subClassOf |
| Delete | Subject | Author | Type | Created |
|---|---|---|---|---|
| No notes to display |