Compound Detail
CHEMBL4780579
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Basic Information
| ChEMBL ID | CHEMBL4780579 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTXWMLGNYQSZPC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
375.8
MW (Da)
4.90
ALogP
3
HBA
2
HBD
66.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium channel subfamily K member 2 CHEMBL2321615 | EC50 | 5.36 | 5.36 | 4400.0 | 1 |
| Potassium channel subfamily K member 10 CHEMBL2331041 | EC50 | 5.12 | 5.12 | 7500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium channel subfamily K member 2 | EC50 | = | 4400.0 | nM | 5.36 | Activation of human TREK1 by thallium flux mobilization assay | 31072652 |
| Potassium channel subfamily K member 10 | EC50 | = | 7500.0 | nM | 5.12 | Activation of human TREK2 by thallium flux mobilization assay | 31072652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31072652 | 10.1016/j.bmcl.2019.04.048 | Potassium channel subfamily K member 10 | 2 |
| 31072652 | 10.1016/j.bmcl.2019.04.048 | Potassium channel subfamily K member 2 | 2 |
Data from ChEMBL 36 via Core Engine