Compound Detail
CHEMBL94664
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Basic Information
| ChEMBL ID | CHEMBL94664 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UIZPEXQHMIZQPQ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
381.5
MW (Da)
4.84
ALogP
4
HBA
0
HBD
30.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 6.7 | 6.7 | 199.5 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 199.53 | nM | 6.7 | Inhibition of human Potassium channel HERG expressed in mammalian cells | 12873512 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 199.53 | nM | 6.7 | Inhibition of human ERG expressed in CHO cells by whole cell patch clamp techniq... | 18448342 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 199.53 | nM | 6.7 | Inhibition of human ERG | 21185626 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12873512 | 10.1016/s0960-894x(03)00492-x | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 18448342 | 10.1016/j.bmc.2008.04.028 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 21185626 | 10.1016/j.ejmech.2010.11.042 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine