Compound Detail
CHEMBL371252
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
COCCn1c(=O)c(C(C)=O)c(NC(C)=O)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc21
Basic Information
| ChEMBL ID | CHEMBL371252 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBTJXTNIWICRLD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
558.9
MW (Da)
6.50
ALogP
6
HBA
1
HBD
90.3
PSA (Ų)
0.26
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 8.43 | 8.43 | 3.7 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | IC50 | = | 3.7 | nM | 8.43 | Binding affinity at the CB1 receptor | 16263284 |
| Cannabinoid receptor 2 | IC50 | = | 1800.0 | nM | 5.75 | Binding affinity at the CB2 receptor | 16263284 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16263284 | 10.1016/j.bmcl.2005.10.028 | Cannabinoid receptor 1 | 1 |
| 16263284 | 10.1016/j.bmcl.2005.10.028 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine