Compound Detail
CHEMBL3758932
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Basic Information
| ChEMBL ID | CHEMBL3758932 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBSQRQKRXUFJSA-AZUAARDMSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
420.9
MW (Da)
2.64
ALogP
6
HBA
2
HBD
81.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.19
EC50 1 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL1875 | IC50 | 6.19 | 6.19 | 648.0 | 1 |
| 5-hydroxytryptamine receptor 4 CHEMBL4317 | EC50 | 6.17 | 6.17 | 676.1 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.17 | 5.17 | 6835.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | IC50 | = | 648.0 | nM | 6.19 | Displacement of [3H]-GR113808 from human 5-HT4 receptor expressed in African gre... | 26761776 |
| 5-hydroxytryptamine receptor 4 | EC50 | = | 676.08 | nM | 6.17 | Agonist activity at 5-HT4 receptor in rat esophageal thoracic muscularis mucosae... | 26761776 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 6835.0 | nM | 5.17 | Inhibition of human ERG channel by fluorescence polarization assay | 26761776 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26761776 | 10.1016/j.ejmech.2015.12.006 | 5-hydroxytryptamine receptor 4 | 2 |
| 26761776 | 10.1016/j.ejmech.2015.12.006 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine