Compound Detail
CHEMBL342659
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Basic Information
| ChEMBL ID | CHEMBL342659 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILNDBHMZRTUWPU-DOFZRALJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
363.6
MW (Da)
6.45
ALogP
2
HBA
2
HBD
32.6
PSA (Ų)
0.11
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 5.86 | 5.86 | 1380.0 | 1 |
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 5.2 | 5.2 | 6300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 1380.0 | nM | 5.86 | Displacement of [3H]CP-55940 from Cannabinoid receptor 1 of rat forebrain membra... | 8893848 |
| Cannabinoid receptor 2 | Ki | = | 6300.0 | nM | 5.2 | Compound was evaluated for its binding affinity for mouse spleen Cannabinoid rec... | 8893848 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8893848 | 10.1021/jm960152y | Cannabinoid receptor 1 | 1 |
| 8893848 | 10.1021/jm960152y | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine