Compound Detail
CHEMBL1557966
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Basic Information
| ChEMBL ID | CHEMBL1557966 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMFYLIVNFBIFOS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
289.4
MW (Da)
3.82
ALogP
5
HBA
1
HBD
43.9
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium channel subfamily K member 9 CHEMBL2321614 | IC50 | 6.38 | 6.38 | 413.0 | 1 |
| Potassium channel subfamily K member 3 CHEMBL2321613 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium channel subfamily K member 9 | IC50 | = | 413.0 | nM | 6.38 | Inhibition of human TASK3 expressed in HEK293 by whole cell voltage clamp assay | 31260312 |
| Potassium channel subfamily K member 3 | IC50 | = | 3200.0 | nM | 5.5 | Inhibition of human TASK1 by whole cell voltage clamp assay | 31260312 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5303304 | HEK-293T | 9 |
| - | 10.6019/CHEMBL5303304 | U2OS | 6 |
| - | 10.6019/CHEMBL5303304 | Fibroblast | 2 |
| 31260312 | 10.1021/acs.jmedchem.9b00248 | Potassium channel subfamily K member 3 | 1 |
| 31260312 | 10.1021/acs.jmedchem.9b00248 | Potassium channel subfamily K member 9 | 1 |
| - | 10.6019/CHEMBL5665443 | Methyl-CpG-binding domain protein 4 | 1 |
| - | 10.6019/CHEMBL5665443 | DNA-3-methyladenine glycosylase | 1 |
| - | 10.6019/CHEMBL5665443 | Adenine DNA glycosylase | 1 |
| - | 10.6019/CHEMBL5665443 | Endonuclease 8-like 1 | 1 |
| - | 10.6019/CHEMBL5665443 | Endonuclease 8-like 2 | 1 |
| - | 10.6019/CHEMBL5665443 | Endonuclease III-like protein 1 | 1 |
| - | 10.6019/CHEMBL5665443 | N-glycosylase/DNA lyase | 1 |
| - | 10.6019/CHEMBL5665443 | Single-strand selective monofunctional uracil DNA glycosylase | 1 |
| - | 10.6019/CHEMBL5665443 | G/T mismatch-specific thymine DNA glycosylase | 1 |
| - | 10.6019/CHEMBL5665443 | Uracil-DNA glycosylase | 1 |
Data from ChEMBL 36 via Core Engine