Compound Detail
CHEMBL550110
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Basic Information
| ChEMBL ID | CHEMBL550110 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXLKAGSPCQYANT-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
4
PK Parameters
4
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
5.16
ALogP
2
HBA
2
HBD
66.0
PSA (Ų)
0.54
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Sgk1 CHEMBL2343 | IC50 | 7.7 | 6.925 | 20.0 | 2 |
| Calcium/calmodulin-dependent protein kinase kinase 2 CHEMBL5284 | IC50 | 7.7 | 7.7 | 19.9 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1499.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 600.0 | ng.hr/ml/mg/kg | Rattus norvegicus |
| CL | 9.4 | mL.min-1.kg-1 | Rattus norvegicus |
| T1/2 | 1.617 | 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 | = | 20.0 | nM | 7.7 | Inhibition of SGK1 by fluorescence polarization assay | 19497745 |
| Calcium/calmodulin-dependent protein kinase kinase 2 | IC50 | = | 19.95 | nM | 7.7 | Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLA... | 29653895 |
| Serine/threonine-protein kinase Sgk1 | IC50 | = | 710.0 | nM | 6.15 | 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 |
| 29653895 | 10.1016/j.bmcl.2018.03.034 | Calcium/calmodulin-dependent protein kinase kinase 2 | 1 |
| 29653895 | 10.1016/j.bmcl.2018.03.034 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine