General
Preferred name
Hyodeoxycholic Acid
Synonyms
HDCA ()
NSC 60672 ()
??-Hyodeoxycholic Acid ()
3α,6α-Dihydroxy-5β-cholan-24-oic acid, HDCA ()
¦Á-Hyodeoxycholic Acid ()
3??,6??-Dihydroxy-5??cholan-24-oic acid, HDCA ()
HYODEOXYCHOLIC_ACID ()
Hyodeoxycholic acid (HDCA) ()
AHRO-001 ()
.alpha.-hyodeoxycholic acid ()
Hyodesoxycholic acid ()
NSC-60672 ()
Hyodeoxycholic Acid ()
Hyodeoxycholic Acid MaxSpec® Standard ()
P&D ID
PD021621
CAS
83-49-8
Tags
drug candidate
natural product
available
Drug Status
investigational
Max Phase
Phase 1
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Hyodeoxycholic acid is a secondary bile acid, one of the metabolic byproducts of intestinal bacteria. It is a TGR5 (GPCR19) agonist, with an EC50 of 31.6 μM in CHO cells.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
0
Organisms
1
Compound Sets
8
BOC Sciences Bioactive Compounds
ChEMBL Drugs
Drug Repurposing Hub
DrugBank
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
23
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
Metabolism
GPCR/G protein
Metabolic Enzyme/Protease
Target
FXR
TGR5 (GPCR19)
Endogenous Metabolite
G protein-coupled Bile Acid Receptor 1
GPCR19
MOA
atherosclerosis formation inhibitor
Solubility
Soluble in DMSO (Slightly), Ethanol (Sparingly), Methanol (Slightly)
Source data
