Compound Detail
CHEMBL332826
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CN1C(=O)[C@H](NC(=O)/C=C/c2ccc(Cl)cc2Cl)N=C(c2ccccc2)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL332826 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYULDQRRUINTAA-SWDTZWKESA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
464.4
MW (Da)
4.96
ALogP
3
HBA
1
HBD
61.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Potassium voltage-gated channel subfamily KQT member 1 CHEMBL5135 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6.0 | nM | 8.22 | Inhibition of Iks current in isolated guinea pig myocytes during a 1s voltage cl... | 9397166 |
| Potassium voltage-gated channel subfamily KQT member 1 | IC50 | = | 31.0 | nM | 7.51 | Molar concentration required to inhibit 50% of the activating delayed-rectifier ... | 11689063 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of Ikr current in isolated guinea pig myocytes during a 0.5 s voltage... | 9397166 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11689063 | 10.1021/jm015505u | Potassium voltage-gated channel subfamily KQT member 1 | 1 |
| 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