Compound Detail
CHEMBL1215755
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CN(C)CCN(C)C(=O)c1ccc(C2=NN(c3ccc(C#N)cc3)C(c3ccc(F)cc3)C2)cc1
Basic Information
| ChEMBL ID | CHEMBL1215755 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKUKEMRCCWWBFD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
469.6
MW (Da)
4.69
ALogP
5
HBA
0
HBD
62.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 7.08 | 7.08 | 83.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mineralocorticoid receptor | IC50 | = | 83.0 | nM | 7.08 | Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human... | 20672822 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 170.0 | nM | 6.77 | Displacement of [3H]dofetilide from human ERG at 10 uM | 20672822 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20672822 | 10.1021/jm100505n | Mineralocorticoid receptor | 1 |
| 20672822 | 10.1021/jm100505n | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine