Compound Detail
CHEMBL3093959
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Basic Information
| ChEMBL ID | CHEMBL3093959 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRXXKWOKXISVCY-UHFFFAOYSA-N |
1
Targets
5
Activities
3
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
309.9
MW (Da)
5.96
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.43
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.37
Ki 2 meas. best 8.08
Kd 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 8.37 | 7.87 | 4.3 | 2 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | Ki | 8.08 | 7.795 | 8.3 | 2 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | Kd | 7.8 | 7.8 | 16.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26125327 | 10.1021/acs.jmedchem.5b00518 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 5 |
| 24224763 | 10.1021/jm4010434 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 4 |
Data from ChEMBL 36 via Core Engine