Compound Detail
CHEMBL5563632
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Basic Information
| ChEMBL ID | CHEMBL5563632 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUVBMCQPLQRPEW-QHCPKHFHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
3.13
ALogP
7
HBA
2
HBD
108.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-sensitive inward rectifier potassium channel 1 CHEMBL1293292 | IC50 | 7.92 | 7.68 | 12.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-sensitive inward rectifier potassium channel 1 | IC50 | = | 12.0 | nM | 7.92 | 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 | = | 36.0 | nM | 7.44 | 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