Compound Detail
CHEMBL4164140
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Basic Information
| ChEMBL ID | CHEMBL4164140 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWDKPYFVKVENAZ-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
426.5
MW (Da)
4.97
ALogP
5
HBA
1
HBD
71.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | EC50 | 7.97 | 6.87 | 10.6 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 10.59 | nM | 7.97 | Agonist activity at human GPR109a expressed in HEK293 cells harboring glosensor-... | 29709786 |
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 10.6 | nM | 7.97 | Agonist activity at human GPR109a expressed in HEK293 cells harboring glosensor-... | 29709786 |
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 1698.24 | nM | 5.77 | Agonist activity at human GPR109a expressed in HTLA cells assessed as increase i... | 29709786 |
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 1686.0 | nM | 5.77 | Agonist activity at human GPR109a expressed in HTLA cells assessed as increase i... | 29709786 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29709786 | 10.1016/j.ejmech.2018.04.037 | Mus musculus | 11 |
| 29709786 | 10.1016/j.ejmech.2018.04.037 | Hydroxycarboxylic acid receptor 2 | 6 |
Data from ChEMBL 36 via Core Engine