Compound Detail
CHEMBL483187
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Basic Information
| ChEMBL ID | CHEMBL483187 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQQBIKZYNMYROX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
446.5
MW (Da)
5.64
ALogP
3
HBA
0
HBD
49.9
PSA (Ų)
0.28
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bile acid receptor CHEMBL2047 | EC50 | 5.2 | 5.2 | 6310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bile acid receptor | EC50 | = | 6310.0 | nM | 5.2 | Agonist activity at FXR assessed as activation by cell based luciferase transact... | 18815030 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18815030 | 10.1016/j.bmcl.2008.09.027 | Bile acid receptor | 3 |
Data from ChEMBL 36 via Core Engine