Compound ID | 2179

Update compound information

TBAJ-587

Class: Small molecule antibacterial agent

Details of activity: Active against Mycobacterium tuberculosis; inhibits ATP synthase
Propensity to select resistant mutants: Yes
Description: Synthetic compound with diarylquinoline core; analogue of bedaquiline that shows greater in vitro potency
Year first mentioned: 2019
Highest developmental phase: Phase 1 (NCT04890535)
Development status: Active (as of 2023)
Chemical structure(s):
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Molecular weight: 614.5
Iso. SMILES: CN(C)CC[C@@](C1=CC(=NC(=C1)OC)OC)([C@H](C2=C(C(=CC=C2)OC)F)C3=C(N=C4C=CC(=CC4=C3)Br)OC)O
InChI Key: JJEGOJPMKLRSPJ-POURPWNDSA-N
Can. SMILES: CN(C)CC[C@@](C1=CC(=NC(=C1)OC)OC)([C@H](C2=CC=CC(=C2F)OC)C3=C(N=C4C=CC(=CC4=C3)Br)OC)O
InChI: InChI=1S/C30H33BrFN3O5/c1-35(2)13-12-30(36,19-16-25(38-4)34-26(17-19)39-5)27(21-8-7-9-24(37-3)28(21)32)22-15-18-14-20(31)10-11-23(18)33-29(22)40-6/h7-11,14-17,27,36H,12-13H2,1-6H3/t27-,30-/m1/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/138319677
Guide to Pharmacology: TBAJ-587
Citations:
  • https://www.nature.com/articles/nrd.2018.28
  • https://www.sciencedirect.com/science/article/pii/S0968089619315056?via%3Dihub
  • https://journals.asm.org/doi/10.1128/aac.02418-20

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