Compound Detail
CHEMBL43945
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Basic Information
| ChEMBL ID | CHEMBL43945 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXCBXNJKWMCRNB-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
291.4
MW (Da)
3.60
ALogP
4
HBA
0
HBD
50.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium-transporting ATPase CHEMBL2095173 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.4 | 5.63 | 400.0 | 2 |
| Potassium-transporting ATPase CHEMBL2095228 | IC50 | 4.86 | 4.86 | 13700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 400.0 | nM | 6.4 | Compound was evaluated for the ability to inhibit H+/K+ -ATPase formation in rab... | 1847427 |
| Potassium-transporting ATPase | IC50 | = | 400.0 | nM | 6.4 | Inhibition of H+/K+ ATPase as reduced acid formation in rabbit gastric glands | 9046332 |
| Unchecked | IC50 | = | 13700.0 | nM | 4.86 | Compound was evaluated for the ability to inhibit purified H+/K+ -ATPase at pH 7... | 1847427 |
| Potassium-transporting ATPase | IC50 | = | 13700.0 | nM | 4.86 | Inhibition of purified H+/K+ ATPase at pH 7.4 as released inorganic phosphate fr... | 9046332 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2754693 | 10.1021/jm00128a005 | Canis familiaris | 9 |
| 3669011 | 10.1021/jm00394a018 | Canis familiaris | 9 |
| 1847427 | 10.1021/jm00106a008 | Unchecked | 5 |
| 3669012 | 10.1021/jm00394a019 | Canis familiaris | 5 |
| 9046332 | 10.1021/jm950700s | Potassium-transporting ATPase | 2 |
| 9046332 | 10.1021/jm950700s | Canis familiaris | 2 |
| 2754693 | 10.1021/jm00128a005 | Rattus norvegicus | 2 |
| 3669011 | 10.1021/jm00394a018 | Rattus norvegicus | 2 |
| 1847427 | 10.1021/jm00106a008 | No relevant target | 1 |
| 3669012 | 10.1021/jm00394a019 | Rattus norvegicus | 1 |
| 9046332 | 10.1021/jm950700s | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine