Compound Detail
CHEMBL339327
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O=C(Cc1cc(Cl)cc(Cl)c1)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(F)(F)F)C1=O
Basic Information
| ChEMBL ID | CHEMBL339327 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUYBFAFDHAPZGW-HSZRJFAPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
520.3
MW (Da)
5.42
ALogP
3
HBA
1
HBD
61.8
PSA (Ų)
0.49
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 30.0 | nM | 7.52 | Inhibition of Iks current in isolated guinea pig myocytes during a 1s voltage cl... | 9397166 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of Ikr current in isolated guinea pig myocytes during a 0.5 s voltage... | 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 |
Data from ChEMBL 36 via Core Engine