Compound Detail
CHEMBL4870713
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4870713 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UUFRLZFNBOCDER-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
347.4
MW (Da)
4.22
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bile acid receptor CHEMBL2047 | EC50 | 8.04 | 7.455 | 9.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bile acid receptor | EC50 | = | 9.1 | nM | 8.04 | Agonist activity at FXR in human HeLa cells by Dual-Glo luciferase assay | 34889100 |
| Bile acid receptor | EC50 | = | 135.0 | nM | 6.87 | 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 |
| 34889100 | 10.1021/acs.jmedchem.1c01017 | Bile acid receptor | 2 |
Data from ChEMBL 36 via Core Engine