Compound Detail
CHEMBL2296785
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COCc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1C1C2(C)CCC(C2)C1(C)C
Basic Information
| ChEMBL ID | CHEMBL2296785 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYNMFBSZECDGSU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
518.5
MW (Da)
7.32
ALogP
4
HBA
1
HBD
56.1
PSA (Ų)
0.44
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 6.62 | 6.62 | 241.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 241.0 | nM | 6.62 | Antagonist activity at CB1 receptor (unknown origin) | - |
| Cannabinoid receptor 1 | Ki | = | 240.99 | nM | 6.62 | 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