Compound Detail
CHEMBL2153670
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CC(C)[C@H](N/C(=N\S(=O)(=O)c1ccc(Cl)cc1)N1C[C@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL2153670 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTCSIQFTNPTSLO-RPWUZVMVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
572.5
MW (Da)
4.64
ALogP
4
HBA
2
HBD
117.2
PSA (Ų)
0.32
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | IC50 | = | 0.5 | nM | 9.3 | Displacement of 3[H]ligand from recombinant human CB1 receptor | 22959249 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22959249 | 10.1016/j.bmcl.2012.08.004 | Mus musculus | 3 |
| 22959249 | 10.1016/j.bmcl.2012.08.004 | Cannabinoid receptor 1 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 22959249 | 10.1016/j.bmcl.2012.08.004 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine