Compound Detail
CHEMBL150942
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Basic Information
| ChEMBL ID | CHEMBL150942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZJPXXDVTLCBKG-SNPVRQPZSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
359.6
MW (Da)
7.05
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.26
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 7.29 | 7.105 | 51.2 | 4 |
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 5.94 | 5.94 | 1140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 51.2 | nM | 7.29 | Binding affinity towards cannabinoid receptor 1 from rat forebrain membranes in ... | 9876105 |
| Cannabinoid receptor 1 | Ki | = | 51.2 | nM | 7.29 | Tested for binding affinity to Cannabinoid receptor 1 | 10072686 |
| Cannabinoid receptor 1 | Ki | = | 105.0 | nM | 6.98 | Binding affinity towards cannabinoid receptor 1 from rat forebrain membranes in ... | 9876105 |
| Cannabinoid receptor 1 | Ki | = | 138.6 | nM | 6.86 | In vitro binding affinity was determined against rat brain Cannabinoid receptor ... | 9057852 |
| Cannabinoid receptor 2 | Ki | = | 1140.0 | nM | 5.94 | 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 |
| 10072686 | 10.1021/jm980461j | Fatty-acid amide hydrolase 1 | 2 |
| 9876105 | 10.1021/jm970257g | Cannabinoid receptor 2 | 1 |
| 10072686 | 10.1021/jm980461j | Cannabinoid receptor 1 | 1 |
| 9057852 | 10.1021/jm960752x | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine