Compound Detail
CHEMBL113443
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Basic Information
| ChEMBL ID | CHEMBL113443 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLZVVLMUAFJYCR-ZJUUUORDSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
3
Publications
0
Known Names
Molecular Properties
300.2
MW (Da)
2.53
ALogP
1
HBA
2
HBD
81.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 1 CHEMBL2781 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 44.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 47.0 | % | Rattus norvegicus |
| T1/2 | 8.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 1 | IC50 | = | 5.0 | nM | 8.3 | 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