Compound Detail
CHEMBL5271104
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Basic Information
| ChEMBL ID | CHEMBL5271104 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPQKDWRLEJFKCZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
2.70
ALogP
3
HBA
2
HBD
69.6
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bile acid receptor CHEMBL2047 | EC50 | 9.52 | 9.52 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bile acid receptor | EC50 | = | 0.3 | nM | 9.52 | Agonist activity at FXR in human HeLa cells by Dual-Glo luciferase assay | 34889100 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34889100 | 10.1021/acs.jmedchem.1c01017 | Bile acid receptor | 2 |
Data from ChEMBL 36 via Core Engine