Compound Detail
CHEMBL515594
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Basic Information
| ChEMBL ID | CHEMBL515594 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYPUHSGNLALOQK-HIXSDJFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
443.6
MW (Da)
1.86
ALogP
7
HBA
0
HBD
77.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL5557 | IC50 | 5.21 | 5.21 | 6150.0 | 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 | = | 6150.0 | nM | 5.21 | Inhibition of ERG in guinea pig ventricular myocytes assessed as blockade of rap... | 19185489 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19185489 | 10.1016/j.bmcl.2009.01.022 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 19185489 | 10.1016/j.bmcl.2009.01.022 | Potassium voltage-gated channel subfamily KQT member 1 | 1 |
Data from ChEMBL 36 via Core Engine