Compound Detail
CHEMBL2296780
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O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCc1cc([N+](=O)[O-])ccc1-2
Basic Information
| ChEMBL ID | CHEMBL2296780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HOQMFRXDGJEXPD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
500.4
MW (Da)
5.37
ALogP
6
HBA
1
HBD
93.3
PSA (Ų)
0.38
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.2 | 7.2 | 63.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 62.95 | nM | 7.2 | Antagonist activity at CB1 receptor (unknown origin) | - |
| Cannabinoid receptor 1 | Ki | = | 63.0 | nM | 7.2 | Antagonist activity at CB1 receptor (unknown origin) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-012-0418-y | Cannabinoid receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine