Compound Detail
CHEMBL3590456
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Basic Information
| ChEMBL ID | CHEMBL3590456 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJAQXDSMGSFRJT-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
396.7
MW (Da)
5.78
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.60
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.44
Ki 1 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | Kd | 7.44 | 7.44 | 36.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | Ki | 7.27 | 7.27 | 54.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 | Kd | = | 36.0 | nM | 7.44 | Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as ... | 26125327 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | Ki | = | 54.0 | nM | 7.27 | Displacement of [3H]dofetilide from human Kv11.1 expressed in HEK293 cell membra... | 26125327 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26125327 | 10.1021/acs.jmedchem.5b00518 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 5 |
Data from ChEMBL 36 via Core Engine