Compound Detail
CHEMBL1202641
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Basic Information
| ChEMBL ID | CHEMBL1202641 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQAGVEYHLQHUET-UHFFFAOYSA-N |
| Parent Compound | CHEMBL50421 |
| Active Moiety | CHEMBL50421 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
436.7
MW (Da)
7.46
ALogP
4
HBA
0
HBD
25.4
PSA (Ų)
0.26
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium-transporting ATPase CHEMBL2095173 | IC50 | 5.82 | 5.67 | 1500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium-transporting ATPase | IC50 | = | 1500.0 | nM | 5.82 | Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated... | 2842503 |
| Potassium-transporting ATPase | IC50 | = | 3000.0 | nM | 5.52 | 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