Compound Detail
CHEMBL1088074
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Basic Information
| ChEMBL ID | CHEMBL1088074 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXJBHWIYUACCSQ-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
398.4
MW (Da)
2.58
ALogP
7
HBA
3
HBD
138.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.44
EC50 1 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | Ki | 6.44 | 6.205 | 360.0 | 2 |
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | EC50 | 6.14 | 6.14 | 730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 | Ki | = | 360.0 | nM | 6.44 | Displacement of [3H]NA from cloned human GPR109A receptor expressed in CHO-K1 ce... | 20184326 |
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 730.0 | nM | 6.14 | Agonist activity at cloned human GPR109A receptor expressed in CHO-K1 cells by [... | 20184326 |
| Hydroxycarboxylic acid receptor 2 | Ki | = | 1080.0 | nM | 5.97 | Displacement of [3H]NA from cloned human GPR109A receptor expressed in CHO-K1 ce... | 20184326 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20184326 | 10.1021/jm100022r | Hydroxycarboxylic acid receptor 2 | 3 |
Data from ChEMBL 36 via Core Engine