Compound Detail
CHEMBL3215681
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Basic Information
| ChEMBL ID | CHEMBL3215681 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBJBOIWNNPBFCD-UHFFFAOYSA-N |
| Parent Compound | CHEMBL2220906 |
| Active Moiety | CHEMBL2220906 |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
413.6
MW (Da)
2.39
ALogP
6
HBA
1
HBD
62.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.49
Ki 1 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL1875 | Ki | 9.4 | 9.4 | 0.4 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.49 | 4.49 | 32500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | Ki | = | 0.3981 | nM | 9.4 | Displacement of [3H](1-(2-(methylsulfonamido)ethyl)piperidin-4-yl)methyl 1-methy... | 23043420 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 32500.0 | nM | 4.49 | Inhibition of human ERG | 23043420 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23043420 | 10.1021/jm300573d | Voltage-gated inwardly rectifying potassium channel KCNH2 | 2 |
| 23043420 | 10.1021/jm300573d | 5-hydroxytryptamine receptor 2A | 1 |
| 23043420 | 10.1021/jm300573d | 5-hydroxytryptamine receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine