Compound Detail
CHEMBL2325213
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Basic Information
| ChEMBL ID | CHEMBL2325213 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJYQGPSXZTVHCX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
3.33
ALogP
2
HBA
0
HBD
22.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 6.42 | 6.42 | 377.0 | 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 | = | 377.0 | nM | 6.42 | Displacement of [3H]astemizole from human ERG K+ channel expressed in HEK293 cel... | 23473309 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23473309 | 10.1021/jm301564f | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine