Compound Detail
CHEMBL4077975
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Basic Information
| ChEMBL ID | CHEMBL4077975 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSKYMIIYLFUZTE-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
367.8
MW (Da)
5.56
ALogP
3
HBA
2
HBD
84.3
PSA (Ų)
0.47
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 7.57 | 7.16 | 27.0 | 3 |
| Cannabinoid receptor 2 CHEMBL5373 | IC50 | 6.34 | 6.34 | 452.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | IC50 | = | 27.0 | nM | 7.57 | Allosteric modulation of human CB1 receptor expressed in CHO cells co-expressing... | 28792219 |
| Cannabinoid receptor 1 | IC50 | = | 27.0 | nM | 7.57 | Allosteric modulation of CB1 receptor (unknown origin) assessed as inhibition of... | 30613319 |
| Cannabinoid receptor 2 | IC50 | = | 452.0 | nM | 6.34 | Allosteric modulation of CB1 receptor in CD-1 mouse cerebellar membranes assesse... | 28792219 |
| Cannabinoid receptor 1 | IC50 | = | 452.0 | nM | 6.34 | Allosteric modulation of CB1 receptor (unknown origin) assessed as inhibition of... | 30613319 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28792219 | 10.1021/acs.jmedchem.7b00707 | Cannabinoid receptor 2 | 3 |
| 30613319 | 10.1021/acsmedchemlett.8b00575 | Cannabinoid receptor 1 | 3 |
| 28792219 | 10.1021/acs.jmedchem.7b00707 | Cannabinoid receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine