Compound Detail
CHEMBL491003
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Basic Information
| ChEMBL ID | CHEMBL491003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RMAOMXOKPHPDJW-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
347.4
MW (Da)
3.92
ALogP
3
HBA
2
HBD
83.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.03
IC50 1 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | EC50 | 6.03 | 6.03 | 940.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 | IC50 | = | 55.0 | nM | 7.26 | Displacement of [3H]nicotinic acid from human GPR109A receptor expressed in CHO-... | 18760600 |
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 940.0 | nM | 6.03 | Agonist activity at human GPR109A receptor expressed in CHO-K1 cells by [35S]GTP... | 18760600 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18760600 | 10.1016/j.bmcl.2008.08.030 | Hydroxycarboxylic acid receptor 2 | 2 |
Data from ChEMBL 36 via Core Engine