Compound Detail
CHEMBL125462
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Basic Information
| ChEMBL ID | CHEMBL125462 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YQNJFQHTYQEYKH-CAPFRKAQSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
347.5
MW (Da)
4.36
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.24
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor CHEMBL2111385 | IC50 | 7.24 | 7.24 | 58.0 | 1 |
| Mus musculus CHEMBL375 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor | IC50 | = | 58.0 | nM | 7.24 | Displacement of 0.5 nM [3H](R)-(+)-WIN-55212-2 from Cannabinoid receptor of rat ... | - |
| Mus musculus | IC50 | = | 80.0 | nM | 7.1 | Concentration required for inhibition of electrically stimulated contraction of ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00040-Z | Mus musculus | 2 |
| 9804691 | 10.1021/jm980305c | Cannabinoid receptor 1 | 1 |
| - | 10.1016/0960-894X(95)00040-Z | Prostaglandin-H2 D-isomerase | 1 |
| - | 10.1016/0960-894X(95)00040-Z | Cannabinoid receptor | 1 |
Data from ChEMBL 36 via Core Engine