Compound Detail
CHEMBL346428
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Basic Information
| ChEMBL ID | CHEMBL346428 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWZDPGYJNDQNMW-HZJYTTRNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
305.5
MW (Da)
6.23
ALogP
2
HBA
0
HBD
21.6
PSA (Ų)
0.28
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 5.09 | 5.09 | 8090.0 | 1 |
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 8090.0 | nM | 5.09 | Binding affinity towards cannabinoid receptor 1 from rat forebrain membranes in ... | 9876105 |
| Cannabinoid receptor 2 | Ki | = | 20000.0 | nM | 4.7 | Binding affinity towards Cannabinoid receptor 2 from mouse spleen membranes usin... | 9876105 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9876105 | 10.1021/jm970257g | Cannabinoid receptor 1 | 2 |
| 9876105 | 10.1021/jm970257g | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine