Compound Detail
CHEMBL3397449
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Basic Information
| ChEMBL ID | CHEMBL3397449 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KRGFHHINRCXTQO-RHDGDCLCSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
337.5
MW (Da)
4.98
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.05 | 7.05 | 90.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.82 | 5.82 | 1530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 90.0 | nM | 7.05 | Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HE... | 25486424 |
| Cannabinoid receptor 1 | Ki | = | 1530.0 | nM | 5.82 | Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HE... | 25486424 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
Data from ChEMBL 36 via Core Engine