General
Preferred name
CHOLIC ACID
Synonyms
Cholanic acid ()
Cholate ()
Colalin ()
Cholic acid sodium ()
SodiumCholate ()
Sodium cholate ()
Orphacol ()
Kybella ()
Deoxycholic acid sodium salt ()
Cholic acid (sodium) ()
CHOLALIC ACID ()
Kolbam ()
E1000 ()
Cholbam ()
NSC-6135 ()
Cholic Acid-d4 ()
Cholic Acid MaxSpec? Standard ()
Cholic Acid-24-13C ()
P&D ID
PD009388
CAS
81-25-4
361-09-1
73163-53-8
10321-98-9
116380-66-6
52886-36-9
Tags
available
drug
Approved by
EMA
FDA
PMDA
First approval
2013
Drug indication
Synthesis disorder
Peroxisomal disorder
Drug Status
approved
Max Phase
4.0
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 Cholic acid is a primary bile acid. Along with , it is one of the two major bile acids synthesized from cholesterol in the liver. (GtoPdb)
Cell lines
1
Organisms
1
Compound Sets
24
Cayman Chemical Bioactives
20849
20250
31347
40288
ChEMBL Approved Drugs
CHEMBL205596
ChEMBL Drugs
CHEMBL205596
Concise Guide to Pharmacology 2017/18
609
Concise Guide to Pharmacology 2019/20
609
Concise Guide to Pharmacology 2021/22
609
Concise Guide to Pharmacology 2023/24
609
Drug Repurposing Hub
DrugBank
DB02659
DrugBank Approved Drugs
DB02659
DrugCentral
3096
DrugCentral Approved Drugs
3096
DrugMAP
DM7OKQV
DrugMAP Approved Drugs
DM7OKQV
EUbOPEN Chemogenomics Library
EUB0001881
Guide to Pharmacology
609
Mcule NIBR MoA Box Subset
MCULE-6268640287
MedChem Express Bioactive Compound Library
HY-N0324
HY-N0324A
Natural product-based probes and drugs
NCATS Inxight Approved Drugs
NU3Y4CCH8Z
Novartis Chemogenetic Library (NIBR MoA Box)
ReFrame library
Selleckchem Bioactive Compound Library
cholic-acid
sodium-cholate
TargetMol Bioactive Compound Library
T2963
T4537
External IDs
94
Properties
(calculated by RDKit )
Molecular Weight
408.29
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
4
Rotatable Bonds
4
Ring Count
4
Aromatic Ring Count
0
cLogP
3.45
TPSA
97.99
Fraction CSP3
0.96
Chiral centers
11.0
Largest ring
6.0
QED
0.57
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolism
Microbiology&virology
Proteases/Proteasome
Metabolic Enzyme/Protease
Target
Endogenous Metabolite
HIV
ADH1C, CES1, COX4I1, COX5A, COX5B, COX6A2, COX6B1, COX6C, COX7A1, COX7B, COX7C, COX8A, ESRRG, FABP6, FECH, GPBAR1, MT-CO1, MT-CO2, MT-CO3, PLA2G1B
Member status
virtual
MOA
Cholesterol-7-alpha-hydroxylase product and feedback inhibitor
bile acid
Indication
bile acid synthesis disorders, peroxisomal disorders, Zellweger syndrome
Disease Area
gastroenterology, neurology/psychiatry, genetics
Biosynthetic Origin
Terpenoid (Steroid)
Therapeutic Indication
Inborn Errors of Bile Synthesis
Dermatological Disorders
Therapeutic Class
Metabolic Disorders
Recommended Cell Concentration
None
Source data