Compound Detail
CHEMBL61271
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Basic Information
| ChEMBL ID | CHEMBL61271 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZQBBKUVKMMPIQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
327.4
MW (Da)
0.99
ALogP
4
HBA
2
HBD
124.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/hydrogen exchanger CHEMBL2096985 | IC50 | 8.03 | 8.03 | 9.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/hydrogen exchanger | IC50 | = | 9.4 | nM | 8.03 | Inhibition of 5-N-(ethyl isopropyl)-amiloride[EIPA]-sensitive Na+ uptake into ac... | 9207943 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9207943 | 10.1021/jm960768n | Sodium/hydrogen exchanger | 1 |
| - | 10.6019/CHEMBL5441142 | Schistosoma mansoni | 1 |
Data from ChEMBL 36 via Core Engine