Compound Detail
CHEMBL461855
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N#Cc1ccc(S(=O)(=O)/N=C(\N)N2C[C@@H](c3ccccc3)C(c3ccc(Cl)cc3)=N2)cc1
Basic Information
| ChEMBL ID | CHEMBL461855 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQIBXTHHXDTIBJ-NRFANRHFSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
463.9
MW (Da)
3.72
ALogP
4
HBA
1
HBD
111.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Ki 1 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.77 | 7.77 | 16.9 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 16.9 | nM | 7.77 | Binding affinity to human CB1 receptor by [35S]GTPgammaS binding assay | 18754613 |
| Cannabinoid receptor 1 | IC50 | = | 100.0 | nM | 7.0 | Binding affinity to human CB1 receptor by [35S]GTPgammaS binding assay | 18754613 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18754613 | 10.1021/jm800329z | Cannabinoid receptor 1 | 2 |
| 18754613 | 10.1021/jm800329z | Cannabinoid receptor 2 | 2 |
Data from ChEMBL 36 via Core Engine