Compound Detail
CHEMBL498572
MDL-74156 Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL498572 |
| Name | MDL-74156 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLWGAEVSWJXOQJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
1
Known Names
Molecular Properties
326.4
MW (Da)
2.31
ALogP
4
HBA
2
HBD
65.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.23 | 5.075 | 5888.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 5888.44 | nM | 5.23 | Inhibition of human ERG expressed in CHO cells by whole cell patch clamp techniq... | 18448342 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 12022.64 | nM | 4.92 | Inhibition of human ERG | 21185626 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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