Compound Detail
CHEMBL1939047
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Basic Information
| ChEMBL ID | CHEMBL1939047 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MGJXFBLDBRUPRX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
3
PK Parameters
2
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
2.40
ALogP
5
HBA
1
HBD
85.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | EC50 | 7.66 | 7.66 | 22.0 | 1 |
| Hydroxycarboxylic acid receptor 2 CHEMBL4731 | EC50 | 7.55 | 7.55 | 28.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 7158.47 | ng.hr.mL-1 | Rattus norvegicus |
| Cmax | 15700.0 | nM | Rattus norvegicus |
| Tmax | 1.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 22.0 | nM | 7.66 | Agonist activity at human HM74A | 22209457 |
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 28.0 | nM | 7.55 | Agonist activity at rat nicotinic acid receptor | 22209457 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22209457 | 10.1016/j.bmcl.2011.12.041 | Rattus norvegicus | 4 |
| 22209457 | 10.1016/j.bmcl.2011.12.041 | Hydroxycarboxylic acid receptor 2 | 2 |
Data from ChEMBL 36 via Core Engine