Compound Detail
CHEMBL128007
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CN(C)CCN1C(=O)C(NC(=O)CCc2ccc(Cl)cc2Cl)N=C(c2ccccc2)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL128007 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQOSJOKFEMDDPM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
523.5
MW (Da)
4.81
ALogP
4
HBA
1
HBD
65.0
PSA (Ų)
0.46
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.28 | 6.28 | 520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of Ikr current in isolated guinea pig myocytes during a 0.5 s voltage... | 9397166 |
| Unchecked | IC50 | = | 520.0 | nM | 6.28 | Inhibition of Iks current in isolated guinea pig myocytes during a 1s voltage cl... | 9397166 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9397166 | 10.1021/jm970517u | Unchecked | 1 |
| 9397166 | 10.1021/jm970517u | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 9397166 | 10.1021/jm970517u | Gastrin/cholecystokinin type B receptor | 1 |
Data from ChEMBL 36 via Core Engine