Compound Detail
CHEMBL468313
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CC(NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)C(Cc1ccc(Cl)cc1)c1cccc(C#N)c1
Basic Information
| ChEMBL ID | CHEMBL468313 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLYKJCMUNUWAGO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
516.0
MW (Da)
6.31
ALogP
4
HBA
1
HBD
75.0
PSA (Ų)
0.38
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | IC50 | = | 0.302 | nM | 9.52 | Antagonist activity against human recombinant cannabinoid-1 receptor | 19406638 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19406638 | 10.1016/j.bmcl.2009.04.037 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine