Compound Detail
CHEMBL4563803
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Basic Information
| ChEMBL ID | CHEMBL4563803 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUTYWZAJGFTVCJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
446.6
MW (Da)
7.54
ALogP
4
HBA
0
HBD
36.3
PSA (Ų)
0.32
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 6.68 | 6.68 | 208.8 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 6.15 | 6.15 | 702.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 208.8 | nM | 6.68 | Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cell me... | 27309150 |
| Cannabinoid receptor 1 | Ki | = | 702.4 | nM | 6.15 | Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 EBNA ce... | 27309150 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27309150 | 10.1021/acs.jmedchem.6b00397 | Cannabinoid receptor 1 | 1 |
| 27309150 | 10.1021/acs.jmedchem.6b00397 | Cannabinoid receptor 2 | 1 |
| 27309150 | 10.1021/acs.jmedchem.6b00397 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine