e-Drug3D

513

CHENODIOL

INN
CHENODIOL

cas 474-25-9

CLASS

STEROL
ANTICHOLELITHOGENIC
CHOLAGOGUE
CHOLERETIC LAXATIVE
ANTILIPEMIC AGENT
BILE ACID USED TO DISSOLVE CERTAIN TYPES OF GALLSTONES (NON-CALCIFIED)

ROUTE (list)

ORAL

ATC code

A05AA01

PK parameters

Solubility

PRACTICALLY INSOLUBLE IN WATER

Target

TARGET HYDROXYSTEROID DEHYDROGENASE/BILE ACID BINDING PROTEIN

PDB
2JN3 (NMR STRUCTURE OF CL-BABP COMPLEXED TO CHENODEOXYCHOLIC ACID)

Ligand code = JN3 (link to the list of PDB complexes)

Download experimental 3D coordinates of JN3 with added hydrogens

DrugCentral

Bile acid receptor UNIPROT Q96RI1 NR1H4

Download SDF file

(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

Formula:
C24H40O4

Calculated chemical properties:

MW 391.55
NB_atoms 28
XLogP 3.14
PSA 72.475
NB_HD 2
NB_HA 4
fsp3 0.96
Lipinski(0=no;1=yes) 1

FDA
NDA 018513 (pdf not found) INN (CHENODIOL) CHENIX (LEADIANT BIOSCI INC) APPROVAL= AP YEAR= 1983 DISCONTINUED
NDA 091019 (pdf not found) INN (CHENODIOL) CHENODIOL (LGM PHARMA) APPROVAL= AP YEAR= 2009
NDA 219488 (pdf not found) INN (CHENODIOL) CTEXLI (MIRUM) APPROVAL= AP YEAR= 2025