Compound Detail
CHEMBL1202679
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Basic Information
| ChEMBL ID | CHEMBL1202679 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RAUFJAAPLIIPQN-VZRGYXGKSA-N |
| Parent Compound | CHEMBL50887 |
| Active Moiety | CHEMBL50887 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
420.6
MW (Da)
7.06
ALogP
4
HBA
0
HBD
38.5
PSA (Ų)
0.26
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium-transporting ATPase CHEMBL2095173 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium-transporting ATPase | IC50 | = | 180.0 | nM | 6.75 | Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated... | 2842503 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2842503 | 10.1021/jm00117a018 | Potassium-transporting ATPase | 2 |
| 2842503 | 10.1021/jm00117a018 | Potassium-transporting ATPase alpha chain 2 | 1 |
| 2842503 | 10.1021/jm00117a018 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine