Compound Detail
CHEMBL3321849
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 | CHEMBL3321849 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PRBFZBLETRVXON-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
390.3
MW (Da)
4.17
ALogP
3
HBA
2
HBD
61.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled bile acid receptor 1 CHEMBL5409 | EC50 | 6.75 | 6.75 | 178.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled bile acid receptor 1 | EC50 | = | 178.0 | nM | 6.75 | Agonist activity at human TGR5 expressed in HEK293 cells assessed as cAMP level ... | 25082126 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25082126 | 10.1016/j.bmcl.2014.07.026 | G-protein coupled bile acid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine