Compound Detail
CHEMBL50529
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL50529 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IMALXKSRAGCHRS-CHWSQXEVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
323.2
MW (Da)
3.86
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 1 CHEMBL2781 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 1 | IC50 | = | 3600.0 | nM | 5.44 | Inhibition of sodium dependent recovery of pH following imposed acidosis in AP1 ... | 14684323 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14684323 | 10.1016/j.bmcl.2003.09.066 | Sodium/hydrogen exchanger 1 | 1 |
Data from ChEMBL 36 via Core Engine