Compound Detail
CHEMBL158138
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CN/C(=N\S(=O)(=O)c1ccc(OC)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1
Basic Information
| ChEMBL ID | CHEMBL158138 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LZZKNLOYWWIEDR-UHFFFAOYSA-N |
1
Targets
3
Activities
3
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
483.0
MW (Da)
4.12
ALogP
4
HBA
1
HBD
83.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Kd 1 meas. best 8.0
Ki 1 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Kd | 8.0 | 8.0 | 10.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.64 | 7.64 | 22.9 | 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 | Kd | = | 10.0 | nM | 8.0 | Antagonistic activity towards cannabinoid receptor 1 expressed as [3H]Arachidoni... | 14736243 |
| Cannabinoid receptor 1 | Ki | = | 22.9 | nM | 7.64 | Displacement of CP-55940 binding from recombinant human cannabinoid receptor 1 e... | 14736243 |
| Cannabinoid receptor 1 | IC50 | = | 100.0 | nM | 7.0 | Displacement of 3[H]ligand from recombinant human CB1 receptor | 22959249 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14736243 | 10.1021/jm031019q | Cannabinoid receptor 1 | 2 |
| 14736243 | 10.1021/jm031019q | Cannabinoid receptor 2 | 1 |
| 22959249 | 10.1016/j.bmcl.2012.08.004 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine