Compound Detail
CHEMBL237788
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Basic Information
| ChEMBL ID | CHEMBL237788 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYPSYPPSHXDFLV-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
154.2
MW (Da)
1.06
ALogP
2
HBA
2
HBD
66.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.74
Ki 1 meas. best 6.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 CHEMBL4731 | Ki | 6.84 | 6.84 | 143.0 | 1 |
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | EC50 | 6.74 | 6.075 | 182.0 | 2 |
| Rattus norvegicus CHEMBL376 | EC50 | 5.29 | 5.25 | 5090.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 | Ki | = | 143.0 | nM | 6.84 | Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in ... | 12930155 |
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 181.97 | nM | 6.74 | Agonist activity at human GPR109a expressed in human adipocytes assessed as decr... | 17804224 |
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 3900.0 | nM | 5.41 | Agonist activity at human cloned GPR109a receptor by forskolin-stimulated cAMP p... | 17588745 |
| Rattus norvegicus | EC50 | = | 5090.0 | nM | 5.29 | Potency required for stimulation of [35S]GTP gamma-S binding to rat spleen was d... | 12930155 |
| Rattus norvegicus | EC50 | = | 6100.0 | nM | 5.21 | G protein activation was measured by stimulation of [35S]GTP gamma-S binding to ... | 12930155 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12930155 | 10.1021/jm030888c | Rattus norvegicus | 4 |
| 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 |
| 12930155 | 10.1021/jm030888c | Hydroxycarboxylic acid receptor 2 | 1 |
| 17588745 | 10.1016/j.bmcl.2007.06.028 | Hydroxycarboxylic acid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine