Compound Detail
CHEMBL4081259
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Basic Information
| ChEMBL ID | CHEMBL4081259 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZEQGOAXOOPOOL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
323.8
MW (Da)
5.05
ALogP
2
HBA
2
HBD
54.0
PSA (Ų)
0.71
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 6.75 | 6.75 | 178.0 | 1 |
| Cannabinoid receptor 2 CHEMBL5373 | IC50 | 6.39 | 6.39 | 405.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 33.1 | mL.min-1.g-1 | Rattus norvegicus |
| T1/2 | 0.6983 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | IC50 | = | 178.0 | nM | 6.75 | Allosteric modulation of human CB1 receptor expressed in CHO cells co-expressing... | 28792219 |
| Cannabinoid receptor 2 | IC50 | = | 405.0 | nM | 6.39 | Allosteric modulation of CB1 receptor in CD-1 mouse cerebellar membranes assesse... | 28792219 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28792219 | 10.1021/acs.jmedchem.7b00707 | Cannabinoid receptor 2 | 4 |
| 28792219 | 10.1021/acs.jmedchem.7b00707 | Cannabinoid receptor 1 | 2 |
| 28792219 | 10.1021/acs.jmedchem.7b00707 | Liver | 2 |
Data from ChEMBL 36 via Core Engine