Compound Detail
CHEMBL68642
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Basic Information
| ChEMBL ID | CHEMBL68642 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGQTZVREGWVYIE-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
396.5
MW (Da)
5.82
ALogP
3
HBA
0
HBD
25.2
PSA (Ų)
0.41
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.92
Ki 2 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
| Cannabinoid receptor CHEMBL2111385 | IC50 | 8.27 | 8.27 | 5.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 1.2 | nM | 8.92 | In vitro inhibition of electrically induced contractions in isolated mouse vas d... | - |
| Cannabinoid receptor | IC50 | = | 5.4 | nM | 8.27 | Compound was evaluated for the inhibition of [3H]WIN-55212-2 binding in rat cere... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00560-G | Cannabinoid receptor | 1 |
| - | 10.1016/0960-894X(95)00560-G | 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