Compound Detail
CHEMBL1083473
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Basic Information
| ChEMBL ID | CHEMBL1083473 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCINTPVMKFHWPN-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
379.8
MW (Da)
5.28
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.61
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.72
EC50 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | IC50 | 7.72 | 7.375 | 19.0 | 2 |
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | EC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 | IC50 | = | 19.0 | nM | 7.72 | Displacement of [3H]niacin from GRP109A receptor | 20452209 |
| Hydroxycarboxylic acid receptor 2 | IC50 | = | 94.0 | nM | 7.03 | Displacement of [3H]-nicotinic acid from N-flag-tagged human HCA2 receptor expre... | 25737085 |
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 120.0 | nM | 6.92 | Displacement of [3H]niacin from GRP109A receptor in presence of 4% human serum | 20452209 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25737085 | 10.1016/j.bmc.2015.02.018 | Hydroxycarboxylic acid receptor 2 | 3 |
| 20452209 | 10.1016/j.bmcl.2010.04.013 | Hydroxycarboxylic acid receptor 2 | 2 |
| 25737085 | 10.1016/j.bmc.2015.02.018 | Hydroxycarboxylic acid receptor 3 | 1 |
Data from ChEMBL 36 via Core Engine