Compound Detail
CHEMBL411673
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Basic Information
| ChEMBL ID | CHEMBL411673 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPXCICWDVOJCEZ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
370.5
MW (Da)
3.54
ALogP
5
HBA
1
HBD
54.7
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.04 | 7.04 | 91.2 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 91.2 | nM | 7.04 | Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HE... | 18311894 |
| Cannabinoid receptor 2 | Ki | = | 92.0 | nM | 7.04 | Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HE... | 18311894 |
| Cannabinoid receptor 2 | Ki | = | 91.2 | nM | 7.04 | Displacement of [3H]-WIN 55,212-2 from human CB2 receptor expressed in human HEK... | 21835510 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18311894 | 10.1021/jm7011613 | Cannabinoid receptor 2 | 3 |
| 18311894 | 10.1021/jm7011613 | Cannabinoid receptor 1 | 2 |
| 18311894 | 10.1021/jm7011613 | Unchecked | 1 |
| 21835510 | 10.1016/j.ejmech.2011.07.023 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine