Compound Detail
CHEMBL4742771
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Basic Information
| ChEMBL ID | CHEMBL4742771 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWTKIGGLLXUFSV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
371.9
MW (Da)
3.44
ALogP
4
HBA
2
HBD
71.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium channel subfamily K member 2 CHEMBL2321615 | IC50 | 5.52 | 5.52 | 2990.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium channel subfamily K member 2 | IC50 | = | 2990.0 | nM | 5.52 | Inhibition of human TREK1 at intermediate transition state expressed in CHO cell... | 32877186 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32877186 | 10.1021/acs.jmedchem.0c00842 | Potassium channel subfamily K member 2 | 12 |
| 32877186 | 10.1021/acs.jmedchem.0c00842 | Potassium channel subfamily K member 4 | 1 |
| 32877186 | 10.1021/acs.jmedchem.0c00842 | Potassium channel subfamily K member 10 | 1 |
Data from ChEMBL 36 via Core Engine