Compound Detail
CHEMBL4856218
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Basic Information
| ChEMBL ID | CHEMBL4856218 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGQGZPGNTYBYOE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
479.6
MW (Da)
4.77
ALogP
6
HBA
2
HBD
94.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.38 | 5.38 | 4160.0 | 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 | = | 4160.0 | nM | 5.38 | 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 | 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