Compound Detail
CHEMBL519861
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 | CHEMBL519861 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNADTZLIYRXONR-HYARGMPZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
430.4
MW (Da)
3.81
ALogP
4
HBA
1
HBD
75.7
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bile acid receptor CHEMBL2047 | EC50 | 5.73 | 5.73 | 1860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bile acid receptor | EC50 | = | 1860.0 | nM | 5.73 | 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