1.0 2026-04-05 12:00:12 UTC 2026-08-22 10:52:04 UTC Bedaquiline SmallMolecule Bedaquiline (C32H31BrN2O2) is a chemical compound used in healthcare, pharmaceuticals, and veterinary products as a drug for the treatment of tuberculosis. Bedaquiline belongs to the stilbenes, a class of phenylpropanoids and polyketides within the organic compounds. With an average molecular weight of 555.52 g/mol, Bedaquiline is a heavy molecule. The compound is administered via the oral exposure route and acts as an inhibitor of the ATP synthase subunit c (atpE) protein target. Regarding its health effects, Bedaquiline is used as a treatment for tuberculosis (PMC5801126, PMC7847937). C32H31BrN2O2 555.516 554.1568903 843663-66-1 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 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 QUIJNHUBAXPXFS-XLJNKUFUSA-N Detected and Not Quantified Bedaquiline Drug Metabolism SMP0130853 Bedaquiline Drug Metabolism Action Pathway SMP0144211 logp 7.13 average_mass 555.516 ChemAxon mono_mass 554.1568903 ChemAxon 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 ChemAxon formula C32H31BrN2O2 ChemAxon 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 ChemAxon inchikey QUIJNHUBAXPXFS-XLJNKUFUSA-N ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72801f4b00> DB08903 5388906 BE0004748