Compound Detail
CHEMBL52999
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Basic Information
| ChEMBL ID | CHEMBL52999 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQAXQECJUSMGPP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
481.0
MW (Da)
4.28
ALogP
5
HBA
1
HBD
66.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 7.44 | 7.44 | 36.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 36.0 | nM | 7.44 | Inhibition of K+ channel activity in CHO cells expressing HERG Kv11.1 | 12729675 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 36.31 | nM | 7.44 | Inhibition of human ERG | 21185626 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12729675 | 10.1016/s0960-894x(03)00196-3 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 21185626 | 10.1016/j.ejmech.2010.11.042 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine