Compound Detail
CHEMBL1209645
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C[C@@H]1CN(C(=O)c2cn3c4c(cccc24)OC[C@H]3C2CCCCC2)C[C@H](C)N1C
Basic Information
| ChEMBL ID | CHEMBL1209645 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUUIKOXVOUKEBZ-FVJLSDCUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
395.6
MW (Da)
4.32
ALogP
4
HBA
0
HBD
37.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | EC50 | 8.2 | 8.2 | 6.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | EC50 | = | 6.31 | nM | 8.2 | Agonist activity at human cannabinoid CB1 receptor expressed in CHO cells after ... | 20634067 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20634067 | 10.1016/j.bmcl.2010.06.067 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine