Compound Detail
CHEMBL550795
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL550795 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSFDVNIKNYXUIP-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
4
PK Parameters
6
Publications
0
Known Names
Molecular Properties
314.3
MW (Da)
4.60
ALogP
2
HBA
2
HBD
66.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Sgk1 CHEMBL2343 | IC50 | 7.4 | 6.645 | 40.0 | 2 |
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | IC50 | 6.74 | 6.74 | 182.0 | 1 |
| Calcium/calmodulin-dependent protein kinase kinase 2 CHEMBL5284 | IC50 | 6.7 | 6.7 | 199.5 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 392.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 154.0 | ng.hr/ml/mg/kg | Rattus norvegicus |
| CL | 64.4 | mL.min-1.kg-1 | Rattus norvegicus |
| T1/2 | 9.4 | 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 | = | 40.0 | nM | 7.4 | Inhibition of SGK1 by fluorescence polarization assay | 19497745 |
| Tyrosine-protein kinase receptor UFO | IC50 | = | 182.0 | nM | 6.74 | Inhibition of recombinant human His-tagged AXL expressed in insect cells after 6... | 28094183 |
| Calcium/calmodulin-dependent protein kinase kinase 2 | IC50 | = | 199.53 | nM | 6.7 | Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLA... | 29653895 |
| Serine/threonine-protein kinase Sgk1 | IC50 | = | 1300.0 | nM | 5.89 | 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 |
| 28094183 | 10.1016/j.bmcl.2017.01.015 | Tyrosine-protein kinase receptor UFO | 2 |
| 19497745 | 10.1016/j.bmcl.2009.05.051 | No relevant target | 1 |
| 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