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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
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| 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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| ID |
http://purl.obolibrary.org/obo/CHEBI_72292 |
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| AHFScode |
8:16.04
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| ATCCode |
J04AK05
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| binds | ||
| CASRN |
843663-66-1
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|
| DBBrand |
sirturo
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|
| DBSalt |
bedaquiline fumarate
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| DBSynonym |
tmc207 aids222089 r207910
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| 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.
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| has pharmacological target | ||
| has role | ||
| 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
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| InChIKey |
InChIKey=QUIJNHUBAXPXFS-XLJNKUFUSA-N
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|
| inhibits | ||
| is metabolised by | ||
| is substrate of | ||
| label |
bedaquiline
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| may interact with | ||
| prefixIRI |
obo2:CHEBI_72292
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|
| prefLabel |
bedaquiline
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|
| 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
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|
| 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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