Compound Detail
CHEMBL1086658
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Basic Information
| ChEMBL ID | CHEMBL1086658 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNHFVKSTAUXQPS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
384.4
MW (Da)
2.19
ALogP
7
HBA
3
HBD
138.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | Ki | 7.96 | 6.5 | 11.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 | Ki | = | 11.0 | nM | 7.96 | Displacement of [3H]NA from cloned human GPR109A receptor expressed in CHO-K1 ce... | 20184326 |
| Hydroxycarboxylic acid receptor 2 | Ki | = | 9130.0 | nM | 5.04 | 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 | 2 |
Data from ChEMBL 36 via Core Engine