General
Preferred name
LITHOCHOLIC ACID
Synonyms
3¦Á-Hydroxy-5¦Â-cholanic acid ()
3α-Hydroxy-5β-cholanic acid ()
3??-Hydroxy-5??cholanic acid ()
Bevacizumab + Trastuzumab ()
Lithocholic Acid-d4 ()
Litocholic Acid ()
Lithocholic Acid-d4 MaxSpec® Standard ()
Lithocholic Acid MaxSpec® Standard ()
P&D ID
PD012162
CAS
434-13-9
83701-16-0
Tags
available
drug candidate
Drug indication
Breast cancer
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)
PRICE
29
DESCRIPTION
Lithocholic acid is a toxic secondary bile acid that can promote intrahepatic cholestasis and promote tumorigenesis. Lithocholic acid is also a FXR antagonist and a PXR/SXR agonist[1][2][3][4][5].
DESCRIPTION
Lithocholic acid (3??-Hydroxy-5??-cholanic acid) is a bile acid formed from chenodeoxycholate by bacterial action, usually conjugated with glycine or taurine. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as cholagogue and choleretic.
DESCRIPTION
Lithocholic acid is a secondary bile acid that has been shown to cause cholestasis, has tumor-promoting activity and has also been implicated in carcinogenesis.
(Enamine Bioactive Compounds)
DESCRIPTION
Lithocholic acid (3α-Hydroxy-5β-cholanic acid) is a bile acid formed from chenodeoxycholate by bacterial action, usually conjugated with glycine or taurine. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as cholagogue and choleretic.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
3
Organisms
1
Compound Sets
21
AdooQ Bioactive Compound Library
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugMAP
Enamine Bioactive Compounds
Enamine BioReference Compounds
EU-OPENSCREEN Bioactive Compound Library
EUbOPEN Chemogenomics Library
Guide to Pharmacology
LSP-MoA library (Laboratory of Systems Pharmacology)
MedChem Express Bioactive Compound Library
NURSA ligand set
Prestwick Chemical Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
ZINC Tool Compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
53
Molecular Weight
376.3
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
4
Ring Count
4
Aromatic Ring Count
0
cLogP
5.51
TPSA
57.53
Fraction CSP3
0.96
Chiral centers
9.0
Largest ring
6.0
QED
0.68
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Apoptosis
Autophagy
Metabolism
Metabolic Enzyme/Protease
Target
GPBAR1, NR1H4, NR1I2, VDR
Endogenous Metabolite
FXR
PXR
VD
MOA
FXR antagonist, vitamin D receptor agonist
Recommended Cell Concentration
None
Source data
