Compound Detail
CHEMBL4592278
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Basic Information
| ChEMBL ID | CHEMBL4592278 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFQMQSIBOHOPCY-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
405.5
MW (Da)
3.51
ALogP
5
HBA
2
HBD
97.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium channel subfamily K member 3 CHEMBL2321613 | IC50 | 6.66 | 6.655 | 220.0 | 2 |
| Potassium channel subfamily K member 9 CHEMBL2321614 | IC50 | 6.02 | 6.02 | 950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium channel subfamily K member 3 | IC50 | = | 220.0 | nM | 6.66 | Inhibition of human TASK1 by whole cell voltage clamp assay | 31260312 |
| Potassium channel subfamily K member 3 | IC50 | = | 222.0 | nM | 6.65 | Inhibition of human TASK1 expressed in Xenopus oocytes by whole cell voltage cla... | 31260312 |
| Potassium channel subfamily K member 9 | IC50 | = | 950.0 | nM | 6.02 | Inhibition of human TASK3 expressed in Xenopus oocytes by whole cell voltage cla... | 31260312 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31260312 | 10.1021/acs.jmedchem.9b00248 | Potassium channel subfamily K member 3 | 2 |
| 31260312 | 10.1021/acs.jmedchem.9b00248 | Potassium channel subfamily K member 9 | 1 |
Data from ChEMBL 36 via Core Engine