Compound Detail
CHEMBL3039515
ELOBIXIBAT 🧪 Phase III
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🧪 Phase III
CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)NCC(=O)O)c3ccccc3)cc2S(=O)(=O)C1
Basic Information
| ChEMBL ID | CHEMBL3039515 |
| Name | ELOBIXIBAT |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | XFLQIRAKKLNXRQ-UUWRZZSWSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
5
Known Names
3
Indications
1
Mechanisms
Molecular Properties
695.9
MW (Da)
6.14
ALogP
8
HBA
3
HBD
142.1
PSA (Ų)
0.15
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Ileal bile acid transporter inhibitor | INHIBITOR | Ileal sodium/bile acid cotransporter | ✓ | ✓ |
Indications
Constipation Lipid Metabolism Disorders Non-alcoholic Fatty Liver Disease
ATC Classification
A06AX09
elobixibat
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: DRUGS FOR CONSTIPATION
Activity Summary
IC50 3 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bile acid receptor CHEMBL2047 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.92 | 8.92 | 1.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bile acid receptor | IC50 | = | 1.2 | nM | 8.92 | Glycocholic acid Uptake Radiometric Assay: ISBT Hu HEK Uptake SPA 13203 IBAT HUM... | - |
| Unchecked | IC50 | = | 1.2 | nM | 8.92 | Pharmaceutical Effect Mean Inhibitory Effect: ISBT Hu HEK Uptake SPA 13203 IBAT ... | - |
| Unchecked | IC50 | = | 1.2 | nM | 8.92 | Pharmaceutical Effect Mean Inhibitory Effect: ISBT Hu HEK Uptake SPA 13203 IBAT ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
Data from ChEMBL 36 via Core Engine