Compound Detail
CHEMBL113201
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Basic Information
| ChEMBL ID | CHEMBL113201 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKOXJPLBLDXQNV-BDAKNGLRSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
203.2
MW (Da)
0.80
ALogP
2
HBA
3
HBD
79.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 1 CHEMBL2781 | IC50 | 6.3 | 5.88 | 500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 1 | IC50 | = | 500.0 | nM | 6.3 | Inhibition of NHE1 (unknown origin) | 38308950 |
| Sodium/hydrogen exchanger 1 | IC50 | = | 3500.0 | nM | 5.46 | Screened in AP1 cells expressing human NHE-1 for sodium hydrogen exchange activi... | 11563929 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11563929 | 10.1021/jm010100v | Sodium/hydrogen exchanger 1 | 1 |
| 38308950 | 10.1016/j.ejmech.2024.116170 | Sodium/hydrogen exchanger 1 | 1 |
Data from ChEMBL 36 via Core Engine