Compound Detail
CHEMBL129525
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Basic Information
| ChEMBL ID | CHEMBL129525 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNMCGVSJVCPQIG-CAPFRKAQSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
4.35
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.1
Ki 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 7.1 | 7.1 | 79.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.89 | 5.89 | 1297.0 | 1 |
| Prostaglandin-H2 D-isomerase CHEMBL4334 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 79.0 | nM | 7.1 | Concentration required for inhibition of electrically stimulated contraction of ... | - |
| Cannabinoid receptor 1 | Ki | = | 1297.0 | nM | 5.89 | Displacement of [3H]-CP55940 from human CB1 receptor | 27482723 |
| Prostaglandin-H2 D-isomerase | IC50 | = | 20000.0 | nM | 4.7 | Compound was tested for inhibitory activity against prostaglandin synthetase in ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00040-Z | Mus musculus | 2 |
| - | 10.1016/0960-894X(95)00040-Z | Prostaglandin-H2 D-isomerase | 1 |
| - | 10.1016/0960-894X(95)00040-Z | Cannabinoid receptor | 1 |
| 27482723 | 10.1021/acs.jmedchem.6b00516 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine