Compound Detail
CHEMBL331457
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Basic Information
| ChEMBL ID | CHEMBL331457 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSYLKEYRQBPJBL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
0.06
ALogP
4
HBA
2
HBD
124.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/hydrogen exchanger CHEMBL2096985 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 6.49 | 6.49 | 321.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/hydrogen exchanger | IC50 | = | 40.0 | nM | 7.4 | Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake in... | 9733499 |
| Homo sapiens | IC50 | = | 321.0 | nM | 6.49 | Concentration to achieve half-maximal inhibition of acid-induced swelling in hum... | 9733499 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9733499 | 10.1021/jm981031w | Sodium/hydrogen exchanger | 1 |
| 9733499 | 10.1021/jm981031w | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine