Compound Detail
CHEMBL205596
CHOLIC ACID 💊 Approved Drug
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💊 Approved Drug
C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Basic Information
| ChEMBL ID | CHEMBL205596 |
| Name | CHOLIC ACID |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | BHQCQFFYRZLCQQ-OELDTZBJSA-N |
| Therapeutic | ✓ Yes |
5
Targets
16
Activities
2
Assay Types
0
PK Parameters
20
Publications
7
Known Names
6
Indications
1
Mechanisms
Molecular Properties
408.6
MW (Da)
3.45
ALogP
4
HBA
4
HBD
98.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2013 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Unknown | - | - | ✓ | ✓ |
Indications
Digestive System Diseases Liver Diseases Metabolism, Inborn Errors Peroxisomal Disorders Fatty Liver Smith-Lemli-Opitz Syndrome
ATC Classification
A05AA03
cholic acid
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: BILE AND LIVER THERAPY
Activity Summary
EC50 10 meas. best 5.11
IC50 6 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled bile acid receptor 1 CHEMBL1255150 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
| G-protein coupled bile acid receptor 1 CHEMBL5409 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| G-protein coupled bile acid receptor 1 CHEMBL5409 | EC50 | 5.11 | 4.76 | 7720.0 | 8 |
| Bile acid receptor CHEMBL2047 | EC50 | 4.35 | 4.245 | 45000.0 | 2 |
| MCF7 CHEMBL387 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
| Oryctolagus cuniculus CHEMBL374 | IC50 | 4.08 | 4.08 | 83000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine