Compound Detail
CHEMBL5560084
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Basic Information
| ChEMBL ID | CHEMBL5560084 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBABYGWJJCNTGT-FQEVSTJZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
3.19
ALogP
8
HBA
2
HBD
108.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-sensitive inward rectifier potassium channel 1 CHEMBL1293292 | IC50 | 8.18 | 8.18 | 6.6 | 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 | = | 6.6 | nM | 8.18 | Inhibition of human ROMK expressed in T-REX-CHO cells incubated for 30 mins by t... | 38807539 |
| ATP-sensitive inward rectifier potassium channel 1 | IC50 | = | 6.6 | nM | 8.18 | Thallium Flux Assay: Solutions and reagents: Thallium flux assay was performed u... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38807539 | 10.1021/acs.jmedchem.4c00893 | ADMET | 2 |
| 38807539 | 10.1021/acs.jmedchem.4c00893 | ATP-sensitive inward rectifier potassium channel 1 | 1 |
| 38807539 | 10.1021/acs.jmedchem.4c00893 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine