Compound Detail
CHEMBL51950
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Basic Information
| ChEMBL ID | CHEMBL51950 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHEXEGZWGZINIT-NEPJUHHUSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
310.2
MW (Da)
4.51
ALogP
2
HBA
2
HBD
54.7
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 1 CHEMBL2781 | IC50 | 8.1 | 8.1 | 8.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 1 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of sodium dependent recovery of pH following imposed acidosis in AP1 ... | 14684323 |
| Sodium/hydrogen exchanger 1 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of NHE1 (unknown origin) | 38308950 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14684323 | 10.1016/j.bmcl.2003.09.066 | Sodium/hydrogen exchanger 1 | 1 |
| 38308950 | 10.1016/j.ejmech.2024.116170 | Sodium/hydrogen exchanger 1 | 1 |
Data from ChEMBL 36 via Core Engine