Compound ID | 1394

Update compound information

TBAJ-876

Synonym(s): Sorfequiline  |  TBAJ876  |  TBAJ 876

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 abscessus and Mycobacterium tuberculosis
Description: A diarylquinoline
Institute where first reported: TB Alliance
Year first mentioned: 2019
Highest development stage: Phase 2 (NCT06058299)
Development status: Active
Chemical structure(s):
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Molecular weight: 657.55
Iso. SMILES: CN(C)CC[C@@](C1=CC(=NC(=C1)OC)OC)([C@H](C2=CC(=NC(=C2OC)OC)OC)C3=C(N=C4C=CC(=CC4=C3)Br)OC)O
InChI Key: HHDDKDPLFXIPBX-DLFZDVPBSA-N
Can. SMILES: CN(C)CC[C@@](C1=CC(=NC(=C1)OC)OC)([C@H](C2=C(C(=NC(=C2)OC)OC)OC)C3=C(N=C4C=CC(=CC4=C3)Br)OC)O
InChI: InChI=1S/C31H37BrN4O7/c1-36(2)12-11-31(37,19-15-24(38-3)34-25(16-19)39-4)27(21-17-26(40-5)35-30(43-8)28(21)41-6)22-14-18-13-20(32)9-10-23(18)33-29(22)42-7/h9-10,13-17,27,37H,11-12H2,1-8H3/t27-,31-/m1/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/155510360
Guide to Pharmacology: sorfequiline
Citations:
  • https://aac.asm.org/content/64/2/e01540-19
  • https://doi.org/10.1128/aac.00613-24
  • https://aac.asm.org/content/64/4/e02404-19

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