Compound Detail
CHEMBL104841
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Basic Information
| ChEMBL ID | CHEMBL104841 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UALAOOODMWJBTC-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
412.5
MW (Da)
5.23
ALogP
4
HBA
0
HBD
34.5
PSA (Ų)
0.42
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 7.96 | 7.605 | 11.0 | 2 |
| Cannabinoid receptor 1 CHEMBL3571 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 11.0 | nM | 7.96 | Concentration required to inhibit electrically induced contractions in isolated ... | 7636873 |
| Cannabinoid receptor 1 | IC50 | = | 13.0 | nM | 7.89 | Concentration of compound required to inhibit 50% of [3H]WIN-55212 binding to Ca... | 7636873 |
| Mus musculus | IC50 | = | 56.0 | nM | 7.25 | Concentration required to inhibit electrically induced contractions in isolated ... | 7636873 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7636873 | 10.1021/jm00016a013 | Cannabinoid receptor 1 | 2 |
| 7636873 | 10.1021/jm00016a013 | Mus musculus | 2 |
Data from ChEMBL 36 via Core Engine