Compound Detail
CHEMBL5560486
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Basic Information
| ChEMBL ID | CHEMBL5560486 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMJYDFFNPACSTJ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
412.5
MW (Da)
4.64
ALogP
4
HBA
0
HBD
53.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| ATP-sensitive inward rectifier potassium channel 1 CHEMBL1293292 | IC50 | 7.89 | 7.56 | 13.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of human ERG expressed in HEK293 cells incubated for 2 to 5 mins by M... | 38807539 |
| ATP-sensitive inward rectifier potassium channel 1 | IC50 | = | 13.0 | nM | 7.89 | Inhibition of human ROMK expressed in T-REX-CHO cells incubated for 3 to 8 mins ... | 38807539 |
| ATP-sensitive inward rectifier potassium channel 1 | IC50 | = | 59.0 | nM | 7.23 | Inhibition of human ROMK expressed in T-REX-CHO cells incubated for 30 mins by t... | 38807539 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38807539 | 10.1021/acs.jmedchem.4c00893 | ATP-sensitive inward rectifier potassium channel 1 | 2 |
| 38807539 | 10.1021/acs.jmedchem.4c00893 | ADMET | 2 |
| 38807539 | 10.1021/acs.jmedchem.4c00893 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine