Compound Detail
CHEMBL1814154
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CCc1c(C(=O)NC(C)(C)c2nnnn2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1
Basic Information
| ChEMBL ID | CHEMBL1814154 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCAYGPOPSAANGJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
563.3
MW (Da)
5.36
ALogP
7
HBA
1
HBD
90.5
PSA (Ų)
0.34
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | IC50 | 10.0 | 10.0 | 0.1 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.64 | 4.64 | 22700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | IC50 | = | 0.1 | nM | 10.0 | Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr b... | 21741835 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 22700.0 | nM | 4.64 | Inhibition of human ERG expressed in HEK293 cells assessed as inhibition of pota... | 21741835 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21741835 | 10.1016/j.bmcl.2011.06.017 | Cannabinoid receptor 1 | 1 |
| 21741835 | 10.1016/j.bmcl.2011.06.017 | Mus musculus | 1 |
| 21741835 | 10.1016/j.bmcl.2011.06.017 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 21741835 | 10.1016/j.bmcl.2011.06.017 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine