Compound Detail
CHEMBL394498
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Basic Information
| ChEMBL ID | CHEMBL394498 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCQYJWRMYFJLRQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
140.1
MW (Da)
0.67
ALogP
2
HBA
2
HBD
66.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | EC50 | 7.1 | 6.6 | 79.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 79.43 | nM | 7.1 | Agonist activity at human GPR109a expressed in human adipocytes assessed as decr... | 17804224 |
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 800.0 | nM | 6.1 | Agonist activity at human cloned GPR109a receptor by forskolin-stimulated cAMP p... | 17588745 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17804224 | 10.1016/j.bmcl.2007.07.101 | Hydroxycarboxylic acid receptor 2 | 3 |
| 17804224 | 10.1016/j.bmcl.2007.07.101 | Hydroxycarboxylic acid receptor 3 | 2 |
| 17588745 | 10.1016/j.bmcl.2007.06.028 | Hydroxycarboxylic acid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine