General
Preferred name
TAURODEOXYCHOLIC ACID
Synonyms
Taurodeoxychloic Acid (sodium hydrate) ()
Sodium taurodeoxycholate monohydrate ()
Taurodeoxycholate sodium salt ()
Sodium taurodeoxycholate (monohydrate) ()
Taurodeoxycholate (sodium salt) ()
Taurodeoxycholic acid (sodium hydrate) ()
Taurodeoxycholic acid sodium hydrate ()
Hy209 ()
DEOXY CHOLATE ()
J339.140J ()
Deoxycholyltaurine ()
Tudcabil ()
HY-209 ()
Taurodesoxycholic acid ()
Taurodeoxycholic Acid (sodium salt hydrate) ()
Taurodeoxycholic Acid MaxSpec? Standard ()
Taurodeoxycholic Acid-d4 (sodium salt) ()
Taurodeoxycholic Acid-d4 MaxSpec? Standard ()
P&D ID
PD039445
CAS
1180-95-6
516-50-7
110026-03-4
207737-97-1
2410279-82-0
1332881-65-8
Tags
available
drug candidate
Drug Status
investigational
Max Phase
2.0
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
6
ChEMBL Drugs
Other bioactive compounds
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
79
Properties
(calculated by RDKit )
Molecular Weight
499.3
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
4
Rotatable Bonds
7
Ring Count
4
Aromatic Ring Count
0
cLogP
3.4
TPSA
123.93
Fraction CSP3
0.96
Chiral centers
10.0
Largest ring
6.0
QED
0.4
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Apoptosis
Caspase
Human Endogenous Metabolite
Endogenous Metabolite
G protein-coupled Bile Acid Receptor 1
S1PR Agonist
Pathway
Metabolism
Metabolic Enzyme/Protease
GPCR/G protein
Source data
