nidufexor   Click here for help

GtoPdb Ligand ID: 10655

Synonyms: compound 1 [PMID: 31940200] | LMB-763 | LMB763
Compound class: Synthetic organic
Comment: Nidufexor (LMB763) is an orally bioavailable non-bile acid agonist of the ligand-activated nuclear farnesoid X receptor (FXR) that is being developed by Novartis for the treatment of nonalcoholic steatohepatitis (NASH) [1]. FXR agonists reduce steatosis, hepatocellular inflammation, hepatic injury and fibrosis.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 84.66
Molecular weight 487.13
XLogP 5.35
No. Lipinski's rules broken 1
Click here for help
Canonical SMILES Clc1ccc2c(c1)c1n(C)nc(c1CO2)C(=O)N(Cc1ccc(cc1)C(=O)O)Cc1ccccc1
Isomeric SMILES Clc1ccc2c(c1)c1n(C)nc(c1CO2)C(=O)N(Cc1ccc(cc1)C(=O)O)Cc1ccccc1
InChI InChI=1S/C27H22ClN3O4/c1-30-25-21-13-20(28)11-12-23(21)35-16-22(25)24(29-30)26(32)31(14-17-5-3-2-4-6-17)15-18-7-9-19(10-8-18)27(33)34/h2-13H,14-16H2,1H3,(H,33,34)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[[benzyl-(8-chloro-1-methyl-4H-chromeno[4,3-c]pyrazole-3-carbonyl)amino]methyl]benzoic acid
International Nonproprietary Names Click here for help
INN number INN
10710 nidufexor
Synonyms Click here for help
compound 1 [PMID: 31940200] | LMB-763 | LMB763
Database Links Click here for help
CAS Registry No. 1773489-72-7 (source: WHO INN record)
GtoPdb PubChem SID 404859102
PubChem CID 118063735
Search Google for chemical match using the InChIKey JYTIXGYXBIBOMN-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JYTIXGYXBIBOMN
Search PubMed clinical trials nidufexor
Search PubMed titles nidufexor
Search PubMed titles/abstracts nidufexor
UniChem Compound Search for chemical match using the InChIKey JYTIXGYXBIBOMN-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey JYTIXGYXBIBOMN-UHFFFAOYSA-N