General
Preferred name
chenodeoxycholic acid
Synonyms
CHENODIOL ()
CDCA ()
Chenix ()
Chenodiol, Chenodesoxycholic acid, Chenocholic acid,CDCA ()
Combidol ()
Anthropodeoxycholic acid ()
Chenic Acid ()
Lithofalk ()
Chenofalk ()
Gallodesoxycholic acid ()
Chendol 125 ()
Chendol 250 ()
Fluibil ()
Xenbilox ()
Anthropododesoxycholic acid ()
Chenossil ()
Anthropodesoxycholic acid ()
NSC-757798 ()
Chenocedon ()
Cholanorm ()
NSC-657949 ()
Chenodeoxycholate ()
Chenocol ()
Chendol ()
Chenodesoxycholic acid ()
Chenodeoxycholic Acid-d4 ()
Chenodeoxycholic Acid MaxSpec® Standard ()
P&D ID
PD009233
CAS
474-25-9
24404-86-2
99102-69-9
Tags
natural product
drug
available
Approved by
FDA
First approval
1983
Drug Status
approved
Drug indication
Cholelithiasis
Anticholelithogenic
Max Phase
Phase 4
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Farnesoid X receptor (bile acid receptor FXR) agonist (GtoPdb)
DESCRIPTION Chenodeoxycholic Acid is a naturally occurring human bile acid.Chenodeoxycholic acid has been used as medical therapy to dissolve gallstones. (BOC Sciences Bioactive Compounds)
Cell lines
0
Organisms
1
Compound Sets
29
AdooQ Bioactive Compound Library
A10197
BOC Sciences Bioactive Compounds
chenodeoxycholic-acid-cas-474-25-9-344484
Cayman Chemical Bioactives
10011286
31365
20848
ChEMBL Approved Drugs
CHEMBL240597
ChEMBL Drugs
CHEMBL240597
Concise Guide to Pharmacology 2017/18
608
Concise Guide to Pharmacology 2019/20
608
Concise Guide to Pharmacology 2021/22
608
Concise Guide to Pharmacology 2023/24
608
Drug Repurposing Hub
DrugBank
DB06777
DrugBank Approved Drugs
DB06777
DrugCentral
4361
DrugCentral Approved Drugs
4361
DrugMAP
DMQ8JIK
DrugMAP Approved Drugs
DMQ8JIK
Enamine BioReference Compounds
Guide to Pharmacology
608
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL240597
MedChem Express Bioactive Compound Library
HY-76847
Natural product-based probes and drugs
NCATS Inxight Approved Drugs
0GEI24LG0J
Novartis Chemogenetic Library (NIBR MoA Box)
NURSA ligand set
nursa/index.jsf?doi=10.1621%2FH7NZZJBHW4
Prestwick Chemical Library
ReFrame library
Selleckchem Bioactive Compound Library
Chenodeoxycholic-acid
TargetMol Bioactive Compound Library
T0847
ZINC Tool Compounds
ZINC000003914808
External IDs
57
Properties
(calculated by RDKit )
Molecular Weight
392.29
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
3
Rotatable Bonds
4
Ring Count
4
Aromatic Ring Count
0
cLogP
4.48
TPSA
77.76
Fraction CSP3
0.96
Chiral centers
10.0
Largest ring
6.0
QED
0.66
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Membrane Transporter/Ion Channel
Autophagy
Metabolic Enzyme/Protease
Target
Bile acid receptor
HSD11B1, NR1H4
Endogenous Metabolite
FXR
Member status
virtual
MOA
11-beta-Hydroxysteroid Dehydrogenase Type 1 (11beta-HSD1) Inhibitors
Farnesoid X Receptor (FXR) Agonists
11-beta hydroxysteroid dehydrogenase inhibitor, FXR agonist
Indication
cerebral cholesterosis, gallstones
Disease Area
cardiology, gastroenterology
Biosynthetic Origin
Terpenoid (Steroid)
Therapeutic Indication
Hypocholesterolemic
Therapeutic Class
Cardiovascular
Solubility
Soluble in Dioxane (Slightly), DMSO (Slightly), Methanol (Slightly)
Source data