Compound Detail
CHEMBL2179676
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2179676 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITWQLJSVTWOWID-UHFFFAOYSA-N |
| Parent Compound | CHEMBL2220954 |
| Active Moiety | CHEMBL2220954 |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
408.6
MW (Da)
3.15
ALogP
6
HBA
0
HBD
42.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.91
Ki 1 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL1875 | Ki | 8.6 | 8.6 | 2.5 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.91 | 5.91 | 1220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | Ki | = | 2.512 | nM | 8.6 | Displacement of [3H](1-(2-(methylsulfonamido)ethyl)piperidin-4-yl)methyl 1-methy... | 23043420 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 1220.0 | nM | 5.91 | Inhibition of human ERG | 23043420 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23043420 | 10.1021/jm300573d | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 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