Compound Detail
CHEMBL2409877
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Basic Information
| ChEMBL ID | CHEMBL2409877 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRGFDZRHFXOHFN-OAQYLSRUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
428.0
MW (Da)
5.60
ALogP
5
HBA
2
HBD
48.4
PSA (Ų)
0.52
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine kinase 1 CHEMBL4394 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| Sphingosine kinase 2 CHEMBL3023 | IC50 | 6.43 | 6.43 | 370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine kinase 1 | IC50 | = | 80.0 | nM | 7.1 | Inhibition of purified human SphK1 assessed as inhibition of formation of [33P]-... | 23845219 |
| Sphingosine kinase 2 | IC50 | = | 370.0 | nM | 6.43 | Inhibition of purified human SphK2 assessed as inhibition of formation of [33P]-... | 23845219 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23845219 | 10.1016/j.bmcl.2013.06.030 | Sphingosine kinase 2 | 1 |
| 23845219 | 10.1016/j.bmcl.2013.06.030 | Sphingosine kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine