Compound Detail
CHEMBL1814330
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Cc1c(C(=O)NC2(c3noc(C(F)(F)F)n3)CCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL1814330 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVRGFGKSULEWRE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
570.8
MW (Da)
7.02
ALogP
6
HBA
1
HBD
85.8
PSA (Ų)
0.28
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | IC50 | = | 0.8 | nM | 9.1 | Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr b... | 21741835 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21741835 | 10.1016/j.bmcl.2011.06.017 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine