Compound Detail
CHEMBL81473
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Basic Information
| ChEMBL ID | CHEMBL81473 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWHSUXWDDKWTOG-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
4.37
ALogP
5
HBA
0
HBD
43.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.06
IC50 1 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.06 | 7.06 | 88.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | IC50 | = | 1.4 | nM | 8.85 | Concentration of compound required to inhibit 50% of [3H]WIN-55212 binding to Ca... | 7636873 |
| Cannabinoid receptor 1 | Ki | = | 88.0 | nM | 7.06 | Displacement of [3H]-CP55940 from human CB1 receptor | 27482723 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7636873 | 10.1021/jm00016a013 | Cannabinoid receptor 1 | 1 |
| 9804691 | 10.1021/jm980305c | Cannabinoid receptor 1 | 1 |
| 11448223 | 10.1021/jm010858e | Cannabinoid receptor 1 | 1 |
| 27482723 | 10.1021/acs.jmedchem.6b00516 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine