Compound Detail
CHEMBL5270816
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Basic Information
| ChEMBL ID | CHEMBL5270816 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKGOJCRRHLDVIG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
460.9
MW (Da)
5.61
ALogP
6
HBA
0
HBD
71.7
PSA (Ų)
0.39
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled bile acid receptor 1 CHEMBL5409 | EC50 | 9.37 | 9.37 | 0.4 | 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 | = | 0.43 | nM | 9.37 | Agonist activity at TGR5 in human HEK293 cells assessed as increase in cAMP prod... | 26878262 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26878262 | 10.1021/acs.jmedchem.5b00342 | G-protein coupled bile acid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine