Compound ID | 1410

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Bedaquiline

Synonym(s): R207910  |  Sirturo  |  TMC207

Class: Small molecule antibacterial agent

Agent Type: Synthetic; Small molecule; Direct acting;
Spectrum of activity: Antimycobacterial
Mechanism of action: ATP synthase inhibitor
Target Pathogen: Active against Mycobacterium tuberculosis
Description: A diarylquinoline
Institute where first reported: Janssen Pharmaceutica, Belgium
Year first mentioned: 2004
Highest development stage: Approved by FDA in 2012
Development status: Approved
Chemical structure(s):
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Molecular weight: 555.51
Iso. SMILES: CN(C)CC[C@@](C1=CC=CC2=CC=CC=C21)([C@H](C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O
InChI Key: QUIJNHUBAXPXFS-XLJNKUFUSA-N
Can. SMILES: CN(C)CC[C@@](C1=CC=CC2=C1C=CC=C2)([C@H](C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O
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
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/5388906
Guide to Pharmacology: bedaquiline
Citations:
  • https://doi.org/10.1126/science.1106753
  • https://doi.org/10.1128/aac.50.4.1558-1560.2006
  • https://aac.asm.org/content/63/8/e00827-19

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