Compound Detail
CHEMBL140353
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CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)CCCCC(=O)Nc3ccc(Cl)cc3Cl)cc1OC2(C)C
Basic Information
| ChEMBL ID | CHEMBL140353 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLNVUXBYBRRXTA-FGZHOGPDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
530.5
MW (Da)
8.79
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.28
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.75 | 7.75 | 18.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 18.0 | nM | 7.75 | Evaluated for its binding affinity towards Cannabinoid receptor 1 (CB1) | 9784115 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9784115 | 10.1021/jm9803875 | Mus musculus | 4 |
| 9784115 | 10.1021/jm9803875 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine