Compound Detail
CHEMBL158468
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Basic Information
| ChEMBL ID | CHEMBL158468 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POPPPMLPRVFFPI-ZKWNWVNESA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
361.6
MW (Da)
5.49
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 7.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 7.49 | 7.49 | 32.5 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.28 | 7.07 | 53.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 32.5 | nM | 7.49 | In vitro binding affinity was determined against rat brain Cannabinoid receptor ... | 9057852 |
| Cannabinoid receptor 1 | Ki | = | 53.0 | nM | 7.28 | Binding affinity against the cannabinoid receptor in the presence of PMSF (expt ... | 9057852 |
| Cannabinoid receptor 1 | Ki | = | 53.0 | nM | 7.28 | Binding affinity against the cannabinoid receptor in the presence of PMSF (expt ... | 9057852 |
| Cannabinoid receptor 1 | Ki | = | 137.0 | nM | 6.86 | Binding affinity against the cannabinoid receptor (experiment 2) | 9057852 |
| Cannabinoid receptor 1 | Ki | = | 137.0 | nM | 6.86 | Binding affinity against the cannabinoid receptor in the presence of PMSF (expt ... | 9057852 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9057852 | 10.1021/jm960752x | Cannabinoid receptor 1 | 5 |
Data from ChEMBL 36 via Core Engine