Compound Detail
CHEMBL424527
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Basic Information
| ChEMBL ID | CHEMBL424527 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKYRHGSPAUMYSV-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
444.4
MW (Da)
4.87
ALogP
5
HBA
2
HBD
76.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.95
Ki 2 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | Kd | 7.95 | 7.95 | 11.2 | 1 |
| Mus musculus CHEMBL375 | Kd | 6.93 | 6.93 | 118.0 | 1 |
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 6.46 | 6.46 | 346.0 | 1 |
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 6.03 | 6.03 | 931.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | Kd | = | 11.2 | nM | 7.95 | Dissociation constant [100(nM)] in myenteric plexus-longitudinal muscle of guine... | 10052983 |
| Mus musculus | Kd | = | 118.0 | nM | 6.93 | Dissociation constant [1000(nM)] in mouse isolated vas deferens using the cannab... | 10052983 |
| Cannabinoid receptor 1 | Ki | = | 346.0 | nM | 6.46 | Binding affinity against Cannabinoid receptor 1 in rat forebrain | 10052983 |
| Cannabinoid receptor 2 | Ki | = | 931.0 | nM | 6.03 | Binding affinity against Cannabinoid receptor 2 in mouse spleen | 10052983 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10052983 | 10.1021/jm980363y | Cannabinoid receptor 1 | 1 |
| 10052983 | 10.1021/jm980363y | Cannabinoid receptor 2 | 1 |
| 10052983 | 10.1021/jm980363y | Cavia porcellus | 1 |
| 10052983 | 10.1021/jm980363y | Mus musculus | 1 |
| 10052983 | 10.1021/jm980363y | Cannabinoid receptor | 1 |
Data from ChEMBL 36 via Core Engine