Compound Detail
CHEMBL3397448
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Basic Information
| ChEMBL ID | CHEMBL3397448 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWPRLTRMNRVCLQ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
337.5
MW (Da)
5.12
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.79
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.0 | 6.915 | 100.0 | 2 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 6.18 | 6.12 | 656.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 100.0 | nM | 7.0 | Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HE... | 25486424 |
| Cannabinoid receptor 2 | Ki | = | 148.0 | nM | 6.83 | Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membra... | 27078864 |
| Cannabinoid receptor 1 | Ki | = | 656.0 | nM | 6.18 | Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membra... | 27078864 |
| Cannabinoid receptor 1 | Ki | = | 870.0 | nM | 6.06 | Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HE... | 25486424 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27078864 | 10.1016/j.ejmech.2016.03.072 | Cannabinoid receptor 2 | 2 |
| 25486424 | 10.1016/j.ejmech.2014.11.066 | Cannabinoid receptor 1 | 1 |
| 25486424 | 10.1016/j.ejmech.2014.11.066 | Cannabinoid receptor 2 | 1 |
| 25486424 | 10.1016/j.ejmech.2014.11.066 | Unchecked | 1 |
| 27078864 | 10.1016/j.ejmech.2016.03.072 | Cannabinoid receptor 1 | 1 |
| 27078864 | 10.1016/j.ejmech.2016.03.072 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine