Compound Detail
CHEMBL440726
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Basic Information
| ChEMBL ID | CHEMBL440726 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCLKJESJXJTROX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
304.4
MW (Da)
4.55
ALogP
3
HBA
0
HBD
25.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sus scrofa CHEMBL613488 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| Potassium-transporting ATPase alpha chain 1 CHEMBL3919 | IC50 | 6.28 | 6.28 | 530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sus scrofa | IC50 | = | 26.0 | nM | 7.58 | In vitro inhibition of [14C]- aminopyrine accumulation was determined in gastric... | 2153816 |
| Potassium-transporting ATPase alpha chain 1 | IC50 | = | 530.0 | nM | 6.28 | In vitro inhibition of H+/K+ ATPase activity was determined in gastric vesicles ... | 2153816 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2153816 | 10.1021/jm00164a010 | Potassium-transporting ATPase alpha chain 1 | 1 |
| 2153816 | 10.1021/jm00164a010 | Sus scrofa | 1 |
| 2153816 | 10.1021/jm00164a010 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine