Compound Detail
CHEMBL423382
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Basic Information
| ChEMBL ID | CHEMBL423382 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GATFOXMZJHQECQ-GKFVBPDJSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
375.6
MW (Da)
5.88
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.26
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 7.59 | 7.365 | 25.5 | 2 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.39 | 7.35 | 41.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 25.5 | nM | 7.59 | In vitro binding affinity was determined against rat brain Cannabinoid receptor ... | 9057852 |
| Cannabinoid receptor 1 | Ki | = | 41.0 | nM | 7.39 | Binding affinity against the cannabinoid receptor | 9057852 |
| Cannabinoid receptor 1 | Ki | = | 47.0 | nM | 7.33 | Binding affinity against the cannabinoid receptor in the presence of PMSF (expt ... | 9057852 |
| Cannabinoid receptor 1 | Ki | = | 47.0 | nM | 7.33 | Binding affinity against the cannabinoid receptor in the presence of PMSF (exper... | 9057852 |
| Cannabinoid receptor 1 | Ki | = | 72.2 | nM | 7.14 | Tested for binding affinity to Cannabinoid receptor 1 | 10072686 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9057852 | 10.1021/jm960752x | Cannabinoid receptor 1 | 4 |
| 8558515 | 10.1021/jm9505167 | Mus musculus | 2 |
| 10072686 | 10.1021/jm980461j | Fatty-acid amide hydrolase 1 | 2 |
| 10072686 | 10.1021/jm980461j | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine