Compound Detail
CHEMBL36569
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Basic Information
| ChEMBL ID | CHEMBL36569 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QEQITHSHGOQMTB-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
522.3
MW (Da)
6.44
ALogP
4
HBA
1
HBD
50.2
PSA (Ų)
0.43
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.11
Kd 2 meas. best 9.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | Kd | 9.42 | 9.42 | 0.4 | 1 |
| Mus musculus CHEMBL375 | Kd | 8.17 | 8.17 | 6.8 | 1 |
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 8.11 | 8.11 | 7.8 | 2 |
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 6.67 | 6.67 | 215.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | Kd | = | 0.38 | nM | 9.42 | Dissociation constant [1000(nM)] in myenteric plexus-longitudinal muscle of guin... | 10052983 |
| Mus musculus | Kd | = | 6.8 | nM | 8.17 | Dissociation constant [316(nM)] in mouse isolated vas deferens using the cannabi... | 10052983 |
| Cannabinoid receptor 1 | Ki | = | 7.85 | nM | 8.11 | Binding affinity against Cannabinoid receptor 1 in rat forebrain | 10052983 |
| Cannabinoid receptor 1 | Ki | = | 7.85 | nM | 8.11 | Inhibition of [3H]CP-55940 binding to cannabinoid receptor 1 in rat brain membra... | 11906286 |
| Cannabinoid receptor 2 | Ki | = | 215.0 | nM | 6.67 | 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 |
| 11906286 | 10.1021/jm010267o | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine