Compound Detail
CHEMBL381677
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CC(=O)Nc1c(C(C)C)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12
Basic Information
| ChEMBL ID | CHEMBL381677 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNMRJQUHDLMTCB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
514.8
MW (Da)
7.31
ALogP
4
HBA
1
HBD
64.0
PSA (Ų)
0.31
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | IC50 | = | 15.0 | nM | 7.82 | Binding affinity at the CB1 receptor | 16263284 |
| Cannabinoid receptor 2 | IC50 | = | 5400.0 | nM | 5.27 | 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