Compound Detail
CHEMBL561526
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Basic Information
| ChEMBL ID | CHEMBL561526 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFCOWWKVWSXJCS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
4
PK Parameters
2
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
6.41
ALogP
2
HBA
2
HBD
66.0
PSA (Ų)
0.36
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Sgk1 CHEMBL2343 | IC50 | 7.2 | 6.63 | 63.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 4173.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 2100.0 | ng.hr/ml/mg/kg | Rattus norvegicus |
| CL | 4.32 | mL.min-1.kg-1 | Rattus norvegicus |
| T1/2 | 4.4 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Sgk1 | IC50 | = | 63.0 | nM | 7.2 | Inhibition of SGK1 by fluorescence polarization assay | 19497745 |
| Serine/threonine-protein kinase Sgk1 | IC50 | = | 870.0 | nM | 6.06 | Inhibition of SGK1-mediated epithelial sodium channel activity in human M-1 cell... | 19497745 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19497745 | 10.1016/j.bmcl.2009.05.051 | Rattus norvegicus | 5 |
| 19497745 | 10.1016/j.bmcl.2009.05.051 | Serine/threonine-protein kinase Sgk1 | 2 |
Data from ChEMBL 36 via Core Engine