Compound Detail
CHEMBL489251
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Basic Information
| ChEMBL ID | CHEMBL489251 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKFCYMQCUANXHY-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
459.7
MW (Da)
7.81
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.21
QED
1
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 8.1 | 8.1 | 7.9 | 2 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.7 | 7.69 | 19.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 7.9 | nM | 8.1 | Binding affinity to human recombinant CB2 receptor expressed in african green mo... | 19331413 |
| Cannabinoid receptor 2 | Ki | = | 7.943 | nM | 8.1 | Binding affinity to human recombinant CB2 receptor expressed in african green mo... | 19331413 |
| Cannabinoid receptor 1 | Ki | = | 19.95 | nM | 7.7 | Binding affinity to human recombinant CB1 receptor expressed in african green mo... | 19331413 |
| Cannabinoid receptor 1 | Ki | = | 21.0 | nM | 7.68 | Binding affinity to human recombinant CB1 receptor expressed in african green mo... | 19331413 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19331413 | 10.1021/jm8016255 | Cannabinoid receptor 1 | 3 |
| 19331413 | 10.1021/jm8016255 | Cannabinoid receptor 2 | 3 |
| 19331413 | 10.1021/jm8016255 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine