Compound Detail
CHEMBL110578
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Basic Information
| ChEMBL ID | CHEMBL110578 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NINVLLPACOWOFH-SVRRBLITSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
3
Publications
0
Known Names
Molecular Properties
272.1
MW (Da)
2.11
ALogP
2
HBA
3
HBD
79.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 1 CHEMBL2781 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 143.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 13.0 | % | Rattus norvegicus |
| T1/2 | 3.4 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 1 | IC50 | = | 40.0 | nM | 7.4 | 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 | Rattus norvegicus | 3 |
| 11563929 | 10.1021/jm010100v | Sodium/hydrogen exchanger 1 | 1 |
| 11563929 | 10.1021/jm010100v | ADMET | 1 |
Data from ChEMBL 36 via Core Engine