Compound Detail
CHEMBL557532
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Basic Information
| ChEMBL ID | CHEMBL557532 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYOVQEWBVJPPIV-SRTPWMEPSA-N |
| Parent Compound | CHEMBL1196583 |
| Active Moiety | CHEMBL1196583 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
426.5
MW (Da)
2.28
ALogP
7
HBA
3
HBD
133.1
PSA (Ų)
0.31
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 1 CHEMBL2577 | IC50 | 7.97 | 7.97 | 10.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 1 | IC50 | = | 10.8 | nM | 7.97 | Inhibition of NHE1 in Sprague-Dawley rat platelet-rich plasma by optical swellin... | 19482383 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19482383 | 10.1016/j.ejmech.2009.04.036 | Sodium/hydrogen exchanger 1 | 1 |
Data from ChEMBL 36 via Core Engine