Compound Detail
CHEMBL513298
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Basic Information
| ChEMBL ID | CHEMBL513298 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXXKICBQBROVQK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
327.4
MW (Da)
3.26
ALogP
4
HBA
1
HBD
64.0
PSA (Ų)
0.92
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.16 | 7.16 | 70.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.25 | 5.25 | 5600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 70.0 | nM | 7.16 | Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HE... | 19435366 |
| Cannabinoid receptor 1 | Ki | = | 5600.0 | nM | 5.25 | Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HE... | 19435366 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19435366 | 10.1021/jm801563d | Cannabinoid receptor 2 | 1 |
| 19435366 | 10.1021/jm801563d | Unchecked | 1 |
| 19435366 | 10.1021/jm801563d | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine