Compound Detail
CHEMBL4459402
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 | CHEMBL4459402 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HFHLXVWBKYAHHE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
328.8
MW (Da)
5.71
ALogP
2
HBA
2
HBD
41.1
PSA (Ų)
0.63
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 7.44 | 7.115 | 36.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | IC50 | = | 36.0 | nM | 7.44 | Allosteric modulation of CB1 receptor (unknown origin) assessed as inhibition of... | 30613319 |
| Cannabinoid receptor 1 | IC50 | = | 164.0 | nM | 6.79 | Allosteric modulation of CB1 receptor (unknown origin) assessed as inhibition of... | 30613319 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30613319 | 10.1021/acsmedchemlett.8b00575 | Cannabinoid receptor 1 | 3 |
Data from ChEMBL 36 via Core Engine