Compound Detail
CHEMBL200179
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Basic Information
| ChEMBL ID | CHEMBL200179 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSVQDQDTYIMIFS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
370.4
MW (Da)
5.21
ALogP
3
HBA
1
HBD
51.1
PSA (Ų)
0.52
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 6.34 | 6.34 | 455.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 455.0 | nM | 6.34 | Displacement of [3H]CP-55940 from human CB2 receptor | 16392793 |
| Cannabinoid receptor 2 | Ki | = | 457.09 | nM | 6.34 | Displacement of [3H]CP 55940 from human CB2 receptor in cell free system | 21183257 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16392793 | 10.1021/jm050467q | Cannabinoid receptor 2 | 3 |
| 16392793 | 10.1021/jm050467q | Cannabinoid receptor 1 | 1 |
| 21183257 | 10.1016/j.ejmech.2010.11.034 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine