Compound Detail
CHEMBL4581847
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Basic Information
| ChEMBL ID | CHEMBL4581847 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWTFBJQOISNRMJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
405.5
MW (Da)
5.00
ALogP
4
HBA
0
HBD
30.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 5.68 | 5.68 | 2070.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 2070.0 | nM | 5.68 | Displacement of [3H]CP55940 from recombinant human CB2 receptor expressed in HEK... | 30647880 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30647880 | 10.1039/C8MD00461G | Cannabinoid receptor 1 | 2 |
| 30647880 | 10.1039/C8MD00461G | Cannabinoid receptor 2 | 2 |
| 30647880 | 10.1039/C8MD00461G | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine