Compound Detail
CHEMBL559072
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Basic Information
| ChEMBL ID | CHEMBL559072 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WUSDKYZDJQIATC-LEWIYUGNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
501.5
MW (Da)
5.75
ALogP
3
HBA
3
HBD
66.5
PSA (Ų)
0.14
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine kinase 1 CHEMBL4394 | IC50 | 5.4 | 5.4 | 3980.0 | 1 |
| Sphingosine kinase 2 CHEMBL3023 | IC50 | 4.54 | 4.54 | 29200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine kinase 1 | IC50 | = | 3980.0 | nM | 5.4 | Inhibition of SphK1 | 19467599 |
| Sphingosine kinase 2 | IC50 | = | 29200.0 | nM | 4.54 | Inhibition of SphK2 | 19467599 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19467599 | 10.1016/j.bmcl.2009.05.035 | Sphingosine kinase 1 | 1 |
| 19467599 | 10.1016/j.bmcl.2009.05.035 | Sphingosine kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine