Compound Detail
CHEMBL5403581
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Basic Information
| ChEMBL ID | CHEMBL5403581 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRRWQTGWNXUVBX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
457.5
MW (Da)
4.15
ALogP
7
HBA
2
HBD
95.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.61 | 6.61 | 244.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.57 | 5.57 | 2720.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 244.0 | nM | 6.61 | Antiplasmodial activity against Plasmodium falciparum NF54 infected in human ery... | 38628794 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 2720.0 | nM | 5.57 | Inhibition of human ERG expressed in CHO K1 cells measured after 4 min by QPatch... | 38628794 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38628794 | 10.1021/acsmedchemlett.3c00496 | No relevant target | 2 |
| 38628794 | 10.1021/acsmedchemlett.3c00496 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 2 |
| 38628794 | 10.1021/acsmedchemlett.3c00496 | ADMET | 2 |
| 38628794 | 10.1021/acsmedchemlett.3c00496 | Plasmodium falciparum | 1 |
| 38628794 | 10.1021/acsmedchemlett.3c00496 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine