Compound Detail
CHEMBL498767
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Basic Information
| ChEMBL ID | CHEMBL498767 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVVUJHUFFPAHCS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
371.5
MW (Da)
6.22
ALogP
3
HBA
0
HBD
31.2
PSA (Ų)
0.28
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 8.14 | 8.14 | 7.2 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 6.42 | 6.42 | 381.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 7.2 | nM | 8.14 | Binding affinity to CB2 receptor | 19143566 |
| Cannabinoid receptor 1 | Ki | = | 381.0 | nM | 6.42 | Binding affinity to CB1 receptor | 19143566 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19143566 | 10.1021/jm801044g | Cannabinoid receptor 1 | 1 |
| 19143566 | 10.1021/jm801044g | Cannabinoid receptor 2 | 1 |
| 19143566 | 10.1021/jm801044g | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine