Compound Detail
CHEMBL490035
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Basic Information
| ChEMBL ID | CHEMBL490035 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSKLTESOTQDSLW-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
477.7
MW (Da)
7.03
ALogP
4
HBA
3
HBD
78.8
PSA (Ų)
0.17
QED
1
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.1 | 7.1 | 79.4 | 2 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 6.1 | 6.095 | 794.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 80.0 | nM | 7.1 | Binding affinity to human recombinant CB2 receptor expressed in african green mo... | 19331413 |
| Cannabinoid receptor 2 | Ki | = | 79.43 | nM | 7.1 | Binding affinity to human recombinant CB2 receptor expressed in african green mo... | 19331413 |
| Cannabinoid receptor 1 | Ki | = | 794.33 | nM | 6.1 | Binding affinity to human recombinant CB1 receptor expressed in african green mo... | 19331413 |
| Cannabinoid receptor 1 | Ki | = | 820.0 | nM | 6.09 | 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