Compound Detail
CHEMBL2036951
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Basic Information
| ChEMBL ID | CHEMBL2036951 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CXWCPIWRMMMGLD-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
272.2
MW (Da)
0.76
ALogP
4
HBA
2
HBD
95.9
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 CHEMBL4731 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | EC50 | 8.52 | 8.52 | 3.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 8.52 | 8.52 | 3.0 | 1 |
| Hydroxycarboxylic acid receptor 2 CHEMBL4420 | EC50 | 8.3 | 8.3 | 5.0 | 1 |
| Hydroxycarboxylic acid receptor 3 CHEMBL4421 | EC50 | 7.23 | 7.23 | 59.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 2.0 | nM | 8.7 | Agonist activity at rat GPR109a | 24900372 |
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 3.0 | nM | 8.52 | Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as... | 24900372 |
| Unchecked | EC50 | = | 3.0 | nM | 8.52 | Agonist activity at dog GPR109a | 24900372 |
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 5.0 | nM | 8.3 | Agonist activity at mouse GPR109a | 24900372 |
| Hydroxycarboxylic acid receptor 3 | EC50 | = | 59.0 | nM | 7.23 | Agonist activity at human GPR109b | 24900372 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900372 | 10.1021/ml200243g | Hydroxycarboxylic acid receptor 2 | 3 |
| 24900372 | 10.1021/ml200243g | Canis familiaris | 3 |
| 24900372 | 10.1021/ml200243g | Rattus norvegicus | 2 |
| 24900372 | 10.1021/ml200243g | Hydroxycarboxylic acid receptor 3 | 1 |
| 24900372 | 10.1021/ml200243g | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine