Compound Detail
CHEMBL216335
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
Cc1ccc2c(c1)Cc1c(C(=O)NNc3ccc([N+](=O)[O-])cc3)nn(-c3ccc(Cl)cc3Cl)c1-2
Basic Information
| ChEMBL ID | CHEMBL216335 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNAYONHCMBWLRY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
494.3
MW (Da)
5.72
ALogP
6
HBA
2
HBD
102.1
PSA (Ų)
0.24
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 5.67 | 5.67 | 2116.0 | 1 |
| Cannabinoid receptor 1 CHEMBL3037 | Ki | 5.35 | 5.35 | 4500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 2116.0 | nM | 5.67 | Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptor | 17149879 |
| Cannabinoid receptor 1 | Ki | = | 4500.0 | nM | 5.35 | Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptor | 17149879 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17149879 | 10.1021/jm060920d | Cannabinoid receptor 2 | 1 |
| 17149879 | 10.1021/jm060920d | Cannabinoid receptor 1 | 1 |
| 17149879 | 10.1021/jm060920d | Cannabinoid receptor | 1 |
Data from ChEMBL 36 via Core Engine