Compound Detail
CHEMBL356892
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Basic Information
| ChEMBL ID | CHEMBL356892 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQBCFJJLWYBXSH-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1184570 |
| Active Moiety | CHEMBL1184570 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
319.4
MW (Da)
3.98
ALogP
2
HBA
0
HBD
16.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium-transporting ATPase alpha chain 1 CHEMBL3919 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Sus scrofa CHEMBL613488 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium-transporting ATPase alpha chain 1 | IC50 | = | 1300.0 | nM | 5.89 | In vitro inhibition of H+/K+ ATPase activity was determined in gastric vesicles ... | 2153816 |
| Sus scrofa | IC50 | = | 2400.0 | nM | 5.62 | In vitro inhibition of [14C]- aminopyrine accumulation was determined in gastric... | 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 |
Data from ChEMBL 36 via Core Engine