Compound Detail
CHEMBL2153767
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
C[C@H](N/C(=N\S(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)C(=O)N[C@@H](CO)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL2153767 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICCOLGPPOZLCMD-LZCUNHEZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
631.5
MW (Da)
2.48
ALogP
6
HBA
4
HBD
166.6
PSA (Ų)
0.21
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | IC50 | = | 8.0 | nM | 8.1 | 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