Compound Detail
CHEMBL2057602
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 | CHEMBL2057602 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYEFXRXGHZXVTC-BKPPORCPSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
218.3
MW (Da)
1.79
ALogP
2
HBA
2
HBD
66.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | EC50 | 8.13 | 7.6 | 7.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 7.4 | nM | 8.13 | Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in... | 22435740 |
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 85.0 | nM | 7.07 | Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in... | 22435740 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22435740 | 10.1021/jm2010964 | Hydroxycarboxylic acid receptor 2 | 4 |
| 22435740 | 10.1021/jm2010964 | Hydroxycarboxylic acid receptor 3 | 2 |
Data from ChEMBL 36 via Core Engine