Compound Detail
CHEMBL36250
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Basic Information
| ChEMBL ID | CHEMBL36250 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDFAIQMMRYUITC-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
429.4
MW (Da)
5.29
ALogP
4
HBA
1
HBD
50.2
PSA (Ų)
0.61
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 7.26 | 7.24 | 55.0 | 2 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.22 | 7.22 | 60.4 | 2 |
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 6.08 | 6.08 | 836.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 55.0 | nM | 7.26 | Inhibition of [3H]CP-55940 binding to cannabinoid receptor 1 in rat brain membra... | 11906286 |
| Cannabinoid receptor 1 | Ki | = | 60.4 | nM | 7.22 | Binding affinity against Cannabinoid receptor 1 in rat forebrain | 10052983 |
| Cannabinoid receptor 1 | Ki | = | 60.4 | nM | 7.22 | Antagonist activity at CB1 receptor (unknown origin) | - |
| Cannabinoid receptor 1 | Ki | = | 60.39 | nM | 7.22 | Antagonist activity at CB1 receptor (unknown origin) | - |
| Cannabinoid receptor 2 | Ki | = | 836.0 | nM | 6.08 | Binding affinity against Cannabinoid receptor 2 in mouse spleen | 10052983 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-012-0418-y | Cannabinoid receptor 1 | 2 |
| 10052983 | 10.1021/jm980363y | Cannabinoid receptor 1 | 1 |
| 10052983 | 10.1021/jm980363y | Cannabinoid receptor 2 | 1 |
| 10052983 | 10.1021/jm980363y | Cannabinoid receptor | 1 |
| 11906286 | 10.1021/jm010267o | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine