Compound Detail
CHEMBL78994
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Basic Information
| ChEMBL ID | CHEMBL78994 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DOVVABPQAKEIMW-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
412.5
MW (Da)
4.97
ALogP
4
HBA
0
HBD
34.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.96
Ki 2 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Mus musculus CHEMBL375 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | IC50 | = | 11.0 | nM | 7.96 | Concentration of compound required to inhibit 50% of [3H]WIN-55212 binding to Ca... | 7636873 |
| Mus musculus | IC50 | = | 15.0 | nM | 7.82 | Concentration required to inhibit electrically induced contractions in isolated ... | 7636873 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7636873 | 10.1021/jm00016a013 | Cannabinoid receptor 1 | 1 |
| 7636873 | 10.1021/jm00016a013 | Mus musculus | 1 |
| 9804691 | 10.1021/jm980305c | Cannabinoid receptor 1 | 1 |
| 11448223 | 10.1021/jm010858e | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine