Compound Detail
CHEMBL1418045
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Basic Information
| ChEMBL ID | CHEMBL1418045 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLLRAGBPCSOJNH-UHFFFAOYSA-N |
2
Targets
4
Activities
3
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
357.2
MW (Da)
4.01
ALogP
3
HBA
1
HBD
51.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.62
IC50 1 meas. best 5.24
Ki 1 meas. best 8.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | Ki | 8.32 | 8.32 | 4.8 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | EC50 | 6.62 | 6.62 | 240.0 | 1 |
| Major prion protein CHEMBL4869 | IC50 | 5.24 | 5.24 | 5812.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 | Ki | = | 4.8 | nM | 8.32 | Binding affinity to Kv11.1 channel (unknown origin) | 26519929 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | EC50 | = | 240.0 | nM | 6.62 | PUBCHEM_BIOASSAY: Confirmation Dose Response screen for compounds that protect h... | - |
| Major prion protein | IC50 | = | 5812.0 | nM | 5.24 | PubChem BioAssay. TRFRET-based cell-based high throughput dose response assay to... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26519929 | 10.1016/j.ejmech.2015.10.032 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine