Compound Detail
CHEMBL3736205
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Basic Information
| ChEMBL ID | CHEMBL3736205 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJDMSARFYPOETQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
368.4
MW (Da)
2.75
ALogP
5
HBA
2
HBD
78.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine kinase 1 CHEMBL4394 | IC50 | 4.21 | 4.21 | 61600.0 | 1 |
| Sphingosine kinase 2 CHEMBL3023 | IC50 | 4.2 | 4.2 | 62600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine kinase 1 | IC50 | = | 61600.0 | nM | 4.21 | Inhibition of human recombinant SphK1 preincubated for 5 mins followed by substr... | - |
| Sphingosine kinase 2 | IC50 | = | 62600.0 | nM | 4.2 | Inhibition of human recombinant SphK2 preincubated for 5 mins followed by substr... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C4MD00312H | Sphingosine kinase 2 | 3 |
| - | 10.1039/C4MD00312H | Sphingosine kinase 1 | 3 |
Data from ChEMBL 36 via Core Engine