Compound Detail
CHEMBL411112
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Basic Information
| ChEMBL ID | CHEMBL411112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QILUOVIHJROTFV-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
436.3
MW (Da)
4.77
ALogP
5
HBA
1
HBD
75.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.3
Ki 2 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 6.55 | 6.55 | 280.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 5.41 | 5.41 | 3940.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 280.0 | nM | 6.55 | Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HE... | 18293908 |
| Cannabinoid receptor 1 | IC50 | = | 500.0 | nM | 6.3 | Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HE... | 18293908 |
| Cannabinoid receptor 2 | Ki | = | 3940.0 | nM | 5.41 | Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HE... | 18293908 |
| Cannabinoid receptor 2 | IC50 | = | 5000.0 | nM | 5.3 | Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HE... | 18293908 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18293908 | 10.1021/jm070566z | Cannabinoid receptor 1 | 2 |
| 18293908 | 10.1021/jm070566z | Cannabinoid receptor 2 | 2 |
| 18293908 | 10.1021/jm070566z | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine