Compound Detail
CHEMBL244189
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Basic Information
| ChEMBL ID | CHEMBL244189 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXXPZNDUVLQCHY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
4.94
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | IC50 | = | 1100.0 | nM | 5.96 | Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells | 17630726 |
| Cannabinoid receptor 2 | IC50 | = | 11000.0 | nM | 4.96 | Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells | 17630726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17630726 | 10.1021/jm070317a | Cannabinoid receptor 1 | 2 |
| 17630726 | 10.1021/jm070317a | Cannabinoid receptor 2 | 2 |
Data from ChEMBL 36 via Core Engine