Compound Detail
CHEMBL330992
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CC(C)N1C(=O)[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2)N=C(c2ccccc2)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL330992 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VONNJQHQUMKPLP-HSZRJFAPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
466.4
MW (Da)
5.34
ALogP
3
HBA
1
HBD
61.8
PSA (Ų)
0.56
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 110.0 | nM | 6.96 | 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 |
Data from ChEMBL 36 via Core Engine