Compound Detail
CHEMBL3397522
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Basic Information
| ChEMBL ID | CHEMBL3397522 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTFJYYBSYWLXBV-CXGRPWHSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
409.6
MW (Da)
6.02
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.58
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.66 | 7.66 | 22.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.81 | 5.81 | 1550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 22.0 | nM | 7.66 | Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HE... | 25486424 |
| Cannabinoid receptor 1 | Ki | = | 1550.0 | nM | 5.81 | 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 2 | 3 |
| 25486424 | 10.1016/j.ejmech.2014.11.066 | Cannabinoid receptor 1 | 1 |
| 25486424 | 10.1016/j.ejmech.2014.11.066 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine