Compound Detail
CHEMBL4872750
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Basic Information
| ChEMBL ID | CHEMBL4872750 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IOCLKILCUMOEGY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
423.5
MW (Da)
5.88
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bile acid receptor CHEMBL2047 | EC50 | 6.72 | 6.72 | 189.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bile acid receptor | EC50 | = | 189.0 | nM | 6.72 | Agonist activity at FXR-LBD (unknown origin) assessed by ligand binding ability ... | 33360559 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33360559 | 10.1016/j.ejmech.2020.113106 | Bile acid receptor | 2 |
Data from ChEMBL 36 via Core Engine