Compound Detail
CHEMBL2153763
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COc1cccc(S(=O)(=O)/N=C(\N[C@H](C(N)=O)C(C)C)N2CC(c3ccccc3)C(c3ccc(Cl)cc3)=N2)c1
Basic Information
| ChEMBL ID | CHEMBL2153763 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJYMFECSXKBOMY-BBMPLOMVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
568.1
MW (Da)
4.00
ALogP
5
HBA
2
HBD
126.5
PSA (Ų)
0.31
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | IC50 | = | 4.0 | nM | 8.4 | 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 | Cannabinoid receptor 1 | 1 |
| 22959249 | 10.1016/j.bmcl.2012.08.004 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine