Compound Detail
CHEMBL346659
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Basic Information
| ChEMBL ID | CHEMBL346659 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTNMZCWZEMNFCR-FQPARAGTSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
361.6
MW (Da)
5.63
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.28
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.92
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Cannabinoid receptor CHEMBL2111385 | Ki | 6.92 | 6.92 | 119.0 | 1 |
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 6.92 | 6.67 | 119.0 | 3 |
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 5.75 | 5.75 | 1790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 100.0 | nM | 7.0 | Tested for potency towards inhibition of the twitch response in mouse vas defere... | 8021930 |
| Cannabinoid receptor | Ki | = | 119.0 | nM | 6.92 | Binding affinity for the cannabinoid receptor in the presence of phenylmethanesu... | 8021930 |
| Cannabinoid receptor 1 | Ki | = | 119.0 | nM | 6.92 | Tested for binding affinity to Cannabinoid receptor 1 | 10072686 |
| Cannabinoid receptor 1 | Ki | = | 130.0 | nM | 6.89 | Binding affinity towards cannabinoid receptor 1 from rat forebrain membranes in ... | 9876105 |
| Cannabinoid receptor 1 | Ki | = | 630.0 | nM | 6.2 | Binding affinity towards cannabinoid receptor 1 from rat forebrain membranes in ... | 9876105 |
| Cannabinoid receptor 2 | Ki | = | 1790.0 | nM | 5.75 | 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 |
| 8021930 | 10.1021/jm00038a020 | Cannabinoid receptor | 2 |
| 10072686 | 10.1021/jm980461j | Fatty-acid amide hydrolase 1 | 2 |
| 9876105 | 10.1021/jm970257g | Cannabinoid receptor 2 | 1 |
| 8021930 | 10.1021/jm00038a020 | Mus musculus | 1 |
| 10072686 | 10.1021/jm980461j | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine