Abaucin

Synonym(s): RS102895

Class: Chemokine receptor antagonist

Spectrum of activity:	Gram-negative
Details of activity:	Active against Acinetobacter baumannii including multidrug- and pan-resistant strains; perturbs lipoprotein trafficking through a mechanism involving LolE (contributes to shuttling proteins from inner to outer membrane)
Propensity to select resistant mutants:	Yes
Description:	Synthetic compound from Drug Repurposing Hub molecules; machine learning-guided discovery
Year first mentioned:	2023
Development status:	Experimental

Chemical structure(s):
Canonical SMILES:	C1=CC2=C(C=C1)NC(=O)OC32CCN(CCC4=CC=C(C=C4)C(F)(F)F)CC3
Isomeric SMILES:	C1CN(CCC12C3=CC=CC=C3NC(=O)O2)CCC4=CC=C(C=C4)C(F)(F)F
InChI:	InChI=1S/C21H21F3N2O2/c22-21(23,24)16-7-5-15(6-8-16)9-12-26-13-10-20(11-14-26)17-3-1-2-4-18(17)25-19(27)28-20/h1-8H,9-14H2,(H,25,27)
InChI Key:	HIDWEYPGMLIQSN-UHFFFAOYSA-N
Structure link:	https://pubchem.ncbi.nlm.nih.gov/compound/10000456

External links:
Guide to Pharmacology:	RS-102895
Main Source:	https://www.nature.com/articles/s41589-023-01349-8
Citations:	https://academic.oup.com/ndt/article/28/7/1700/1855624?login=false https://www.cell.com/cell/fulltext/S0092-8674(20)30102-1?_returnURL=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0092867420301021%3Fshowall%3Dtrue https://www.nature.com/articles/nm.4306