TBAJ-587

Class: Diarylquinoline

Details of activity:	Active against Mycobacterium tuberculosis; inhibits ATP synthase
Propensity to select resistant mutants:	Yes
Description:	Synthetic compound; 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):
Canonical 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
Isomeric 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:	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
InChI Key:	JJEGOJPMKLRSPJ-POURPWNDSA-N
Structure link:	https://pubchem.ncbi.nlm.nih.gov/compound/138319677

External links:
Guide to Pharmacology:	TBAJ-587
Main Source:	https://journals.asm.org/doi/10.1128/aac.02418-20
Citations:	https://www.nature.com/articles/nrd.2018.28 https://www.sciencedirect.com/science/article/pii/S0968089619315056?via%3Dihub