loading...| Preferred Name | bedaquiline | |
| Synonyms |
1-(6-Bromo-2-methoxy-quinolin-3-yl)-4-dimethylamino-2-naphthalen-1-yl-1-phenyl-butan-2-ol bedaquilinum bedaquilina bedaquiline R 207910 R207910 TMC 207 TMC-207 TMC207 (1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-(1-naphthyl)-1-phenylbutan-2-ol |
|
| Definitions |
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. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_72292 |
|
| alternative term |
1-(6-Bromo-2-methoxy-quinolin-3-yl)-4-dimethylamino-2-naphthalen-1-yl-1-phenyl-butan-2-ol bedaquilinum bedaquilina bedaquiline R 207910 R207910 TMC 207 TMC-207 TMC207 (1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-(1-naphthyl)-1-phenylbutan-2-ol |
|
| bearer of | ||
| charge |
0 |
|
| database_cross_reference |
PMID:21877185 Patent:WO2005117875 PMID:21858172 Wikipedia:Bedaquiline PMID:22991970 PMID:19954909 PMID:23089752 PMID:22926573 PMID:22332895 PMID:23291974 PMID:22126739 PMID:20038615 PMID:22279595 PMID:22762423 KEGG:C14122 PMID:22615276 PMID:22155815 KEGG:D09872 PMID:22470112 PMID:22828481 CAS:654653-93-7 PMID:22622957 Patent:WO2006067048 Reaxys:10733008 PMID:18948422 PMID:21659613 PMID:22354303 CAS:843663-66-1 Drug_Central:4741 PMID:22391540 |
|
| definition |
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. |
|
| formula |
C32H31BrN2O2 |
|
| has_exact_synonym |
(1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-(1-naphthyl)-1-phenylbutan-2-ol |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
1-(6-Bromo-2-methoxy-quinolin-3-yl)-4-dimethylamino-2-naphthalen-1-yl-1-phenyl-butan-2-ol bedaquilinum bedaquilina bedaquiline R 207910 R207910 TMC 207 TMC-207 TMC207 |
|
| id |
CHEBI:72292 |
|
| in_subset | ||
| 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 |
|
| inchikey |
QUIJNHUBAXPXFS-XLJNKUFUSA-N |
|
| is_conjugate_base_of | ||
| label |
bedaquiline |
|
| mass |
555.50500 |
|
| monoisotopicmass |
554.15689 |
|
| notation |
CHEBI:72292 |
|
| prefLabel |
bedaquiline |
|
| RO_0000087 | ||
| smiles |
COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_25477 http://purl.obolibrary.org/obo/CHEBI_26513 http://purl.obolibrary.org/obo/CHEBI_37141 |