Basic Information
ID DDInter170
Drug Type small molecule
Molecular Formula C32H31BrN2O2
Molecular Weight 555.505
CAS Number 843663-66-1
Description Bedaquiline is a bactericidal antimycobacterial drug. Chemically it is a diarylquinoline. FDA approved on December 28, 2012.
ATC Classification J04AK05
IUPAC Name (1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-(naphthalen-1-yl)-1-phenylbutan-2-ol
InChI QUIJNHUBAXPXFS-XLJNKUFUSA-N
Canonical 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
Useful Links DrugBank ChEBI PubChem Substance KEGG Compound KEGG Drug ChemSpider BindingDB Wikipedia ChEMBL ZINC
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