Compound Detail
CHEMBL4450625
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4450625 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJHJQNKTWHOYQV-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
371.9
MW (Da)
5.78
ALogP
3
HBA
2
HBD
44.4
PSA (Ų)
0.61
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 7.05 | 6.175 | 89.0 | 2 |
| Cannabinoid receptor 1 CHEMBL3037 | IC50 | 5.59 | 5.525 | 2570.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | IC50 | = | 89.0 | nM | 7.05 | Allosteric modulator activity at human CB1 receptor expressed in CHO-RD-HGA16 ce... | 31596583 |
| Cannabinoid receptor 1 | IC50 | = | 2570.0 | nM | 5.59 | Allosteric modulator activity at CB1 receptor in mouse cerebellar membranes asse... | 31596583 |
| Cannabinoid receptor 1 | IC50 | = | 2570.4 | nM | 5.59 | Allosteric modulator activity at CB1 receptor in mouse cerebellar membranes asse... | 31596583 |
| Cannabinoid receptor 1 | IC50 | = | 3467.0 | nM | 5.46 | Allosteric modulator activity at CB1 receptor in mouse cerebellar membranes asse... | 31596583 |
| Cannabinoid receptor 1 | IC50 | = | 3467.37 | nM | 5.46 | Allosteric modulator activity at CB1 receptor in mouse cerebellar membranes asse... | 31596583 |
| Cannabinoid receptor 1 | IC50 | = | 5020.0 | nM | 5.3 | Allosteric modulator activity at human CB1 receptor expressed in HEK293 cell mem... | 31596583 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31596583 | 10.1021/acs.jmedchem.9b01161 | Cannabinoid receptor 1 | 10 |
| 31596583 | 10.1021/acs.jmedchem.9b01161 | Cannabinoid receptor 2 | 3 |
Data from ChEMBL 36 via Core Engine