Compound Detail
CHEMBL4868736
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Basic Information
| ChEMBL ID | CHEMBL4868736 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUCRYJGOUKKKQG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
3.55
ALogP
4
HBA
2
HBD
67.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.24 | 6.24 | 579.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 90.0 | nM | 7.05 | Inhibition of human ERG stably expressed in CHO-K1 cells at -90 mV holding poten... | 34413963 |
| Plasmodium falciparum | IC50 | = | 579.0 | nM | 6.24 | Antiplasmodial activity against chloroquine-sensitive synchronized Plasmodium fa... | 34413963 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34413963 | 10.1021/acsmedchemlett.1c00328 | Plasmodium falciparum | 2 |
| 34413963 | 10.1021/acsmedchemlett.1c00328 | No relevant target | 1 |
| 34413963 | 10.1021/acsmedchemlett.1c00328 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 34413963 | 10.1021/acsmedchemlett.1c00328 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine