Compound Detail
CHEMBL4870498
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Basic Information
| ChEMBL ID | CHEMBL4870498 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEKQRZPFTQAZOG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
504.6
MW (Da)
5.49
ALogP
6
HBA
1
HBD
69.8
PSA (Ų)
0.36
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.6 | 7.345 | 25.0 | 2 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 6.01 | 6.01 | 970.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 25.0 | nM | 7.6 | Antiplasmodial activity against chloroquine-sensitive synchronized Plasmodium fa... | 34413963 |
| Plasmodium falciparum | IC50 | = | 82.0 | nM | 7.09 | Antiplasmodial activity against multi drug resistant synchronized Plasmodium fal... | 34413963 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 970.0 | nM | 6.01 | Inhibition of human ERG stably expressed in CHO-K1 cells at -90 mV holding poten... | 34413963 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34413963 | 10.1021/acsmedchemlett.1c00328 | ADMET | 5 |
| 34413963 | 10.1021/acsmedchemlett.1c00328 | Plasmodium falciparum | 2 |
| 34413963 | 10.1021/acsmedchemlett.1c00328 | No relevant target | 1 |
| 34413963 | 10.1021/acsmedchemlett.1c00328 | Unchecked | 1 |
| 34413963 | 10.1021/acsmedchemlett.1c00328 | CHO | 1 |
| 34413963 | 10.1021/acsmedchemlett.1c00328 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine