General
Preferred name
glycochenodeoxycholic acid
Synonyms
Chenodeoxycholylglycine ()
GLYCOCHENODEOXYCHOLATE ()
Glycine chenodeoxycholate ()
GCDCA ()
Lithocholylglycine ()
Chenodeoxycholylglycine sodium salt ()
Sodium glycochenodeoxycholate ()
Glycochenodeoxycholic acid sodium salt ()
Glycochenodeoxycholate, Chenodeoxycholylglycine, Glycine chenodeoxycholate ()
?Glycochenodeoxycholic Acid (sodium salt? hyrate) ()
Glycochenodeoxycholic Acid-d4 ()
Glycochenodeoxycholic Acid MaxSpec® Standard ()
Glycochenodeoxycholic Acid-d4 MaxSpec® Standard ()
P&D ID
PD008534
CAS
640-79-9
16564-43-5
1201918-16-2
Tags
drug candidate
natural product
available
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 formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
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
Guide to Pharmacology
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
ZINC Tool Compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
135
Properties
(calculated by RDKit )
Molecular Weight
449.31
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
4
Rotatable Bonds
6
Ring Count
4
Aromatic Ring Count
0
cLogP
3.59
TPSA
106.86
Fraction CSP3
0.92
Chiral centers
10.0
Largest ring
6.0
QED
0.5
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Apoptosis
Metabolism
Immunology/Inflammation
JAK/STAT Signaling
Metabolic Enzyme/Protease
Stem Cell/Wnt
Target
Endogenous Metabolite
BCL6
Caspase
Interleukin Related
STAT
Source data