Compound ID | 3286
Synonym(s): WX-081 | WX 081 | WX081
Class: DiarylquinolineÂ
Details of activity: | Active against Mycobacterium tuberculosis |
Description: | Synthetic compound; analogue of bedaquiline; shows favourable pharmacokinetics and reduced toxicity than badaquiline |
Institute where first reported: | Shanghai Jiatan Pharmatech Co., Ltd |
Year first mentioned: | 2022 |
Highest developmental phase: | Phase 3 (NCT05824871) |
Development status: | Active (as of 2024) |
Chemical structure(s): | |
Canonical SMILES: | CN(C)CC[C@@](C1=CC=CC2=C1C=CC=C2)([C@H](C3=CC=CC=C3)C4=CC(=CN=C4OC)C5=CC=C(C=C5)Cl)O |
Isomeric SMILES: | CN(C)CC[C@@](C1=CC=CC2=CC=CC=C21)([C@H](C3=CC=CC=C3)C4=C(N=CC(=C4)C5=CC=C(C=C5)Cl)OC)O |
InChI: | InChI=1S/C34H33ClN2O2/c1-37(2)21-20-34(38,31-15-9-13-25-10-7-8-14-29(25)31)32(26-11-5-4-6-12-26)30-22-27(23-36-33(30)39-3)24-16-18-28(35)19-17-24/h4-19,22-23,32,38H,20-21H2,1-3H3/t32-,34-/m1/s1 |
InChI Key: | MMUCHWPQRGEHDV-ZFEZZJPFSA-N |
Structure link: | https://pubchem.ncbi.nlm.nih.gov/compound/156777270 |
External links: | |
Main Source: | https://journals.asm.org/doi/10.1128/spectrum.02477-21 |