Compound Detail
CHEMBL3321844
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Basic Information
| ChEMBL ID | CHEMBL3321844 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIBFXETTWRYCRP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
447.4
MW (Da)
5.37
ALogP
6
HBA
1
HBD
67.3
PSA (Ų)
0.43
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled bile acid receptor 1 CHEMBL5409 | EC50 | 7.39 | 7.39 | 41.0 | 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 | = | 41.0 | nM | 7.39 | 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