General
Preferred name
taurochenodeoxycholic acid
Synonyms
12-Deoxycholyltaurine ()
TAUROCHENODEOXYCHOLATE ()
TCDCA ()
Chenodeoxycholyltaurine ()
Chenyltaurine ()
Sodium taurochenodeoxycholate ()
12-Deoxycholyltaurine (sodium) ()
Taurochenodeoxycholic acid (sodium) ()
Taurochenodeoxycholate, TCDCA, 12-Deoxycholyltaurine, Chenodeoxycholyltaurine, Chenyltaurine ()
Taurochenodeoxycholic Acid (sodium salt) ()
Taurochenodeoxycholic Acid-d4 (sodium salt) ()
Taurochenodeoxycholic Acid-d4 MaxSpec? Standard ()
Taurochenodeoxycholic Acid MaxSpec? Standard ()
P&D ID
PD048958
CAS
6009-98-9
516-35-8
2410279-85-3
1207294-24-3
Tags
available
drug candidate
Drug indication
Discovery agent
Drug Status
experimental
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)
INDICATION
Taurochenodeoxycholic acid is likely indicated as a choleretic and cholagogue. It is also being investigated for its role in inflammation and cancer therapy.
MOA
Chenodeoxycholic acid is a primary bile acid in the liver that combines with taurine to form the bile acid taurochenodeoxycholic acid. In the bile, taurochenodeoxycholic acid is either a sodium (most) or potassium salt. Taurochenodeoxycholic acid is normally produced in the liver, and its physiologic function as a bile salt is to emulsify lipids such as cholesterol in the bile. As a medication, taurochenodeoxycholic acid reduces cholesterol formation in the liver, and is likely used as a choleretic to increase the volume of bile secretion from the liver and as a cholagogue to increase bile discharge into the duodenum. The mechanism of action of taurochenodeoxycholic acid in inflammation and cancer has yet to be determined.
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
0
Organisms
1
Compound Sets
11
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
DrugBank
DrugMAP
Guide to Pharmacology
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
85
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)
Pathway
Apoptosis
Metabolic Enzyme/Protease
Target
Caspase
TNF-??
TNF-¦Á
Endogenous Metabolite
Caspase,TNF-alpha
MOA
TNF
Source data
