Compound Detail
CHEMBL75591
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Basic Information
| ChEMBL ID | CHEMBL75591 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMUJSLQGNHXBQA-ZKWNWVNESA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
361.6
MW (Da)
5.89
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.26
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.36
EC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | EC50 | 8.52 | 8.52 | 3.0 | 1 |
| Cannabinoid receptor CHEMBL2111385 | Ki | 7.36 | 6.845 | 44.0 | 2 |
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 7.07 | 7.07 | 85.2 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 6.19 | 5.965 | 650.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | EC50 | = | 3.0 | nM | 8.52 | Effective concentration that causes twitch inhibition in a mouse vas deferens as... | 9357529 |
| Cannabinoid receptor | Ki | = | 44.0 | nM | 7.36 | Binding affinity towards cannabinoid receptor using [3H]CP-55940 as radioligand ... | 9357529 |
| Cannabinoid receptor 1 | Ki | = | 85.2 | nM | 7.07 | In vitro binding affinity was determined against rat brain Cannabinoid receptor ... | 9057852 |
| Cannabinoid receptor | Ki | = | 466.0 | nM | 6.33 | Binding affinity towards cannabinoid receptor using [3H]SR-141,716A as radioliga... | 9357529 |
| Cannabinoid receptor 1 | Ki | = | 650.0 | nM | 6.19 | Binding affinity against the cannabinoid receptor | 9057852 |
| Cannabinoid receptor 1 | Ki | = | 1820.0 | nM | 5.74 | Binding affinity against the cannabinoid receptor in the presence of PMSF | 9057852 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9057852 | 10.1021/jm960752x | Cannabinoid receptor 1 | 3 |
| 8558515 | 10.1021/jm9505167 | Mus musculus | 2 |
| 9357529 | 10.1021/jm9702950 | Cannabinoid receptor | 2 |
| 9357529 | 10.1021/jm9702950 | Mus musculus | 2 |
| 10882356 | 10.1021/jm991074s | Cannabinoid receptor 1 | 1 |
| 10882356 | 10.1021/jm991074s | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine