Compound Detail
CHEMBL4466524
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Basic Information
| ChEMBL ID | CHEMBL4466524 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIGAQKBPLMSWOD-LMOVPXPDSA-N |
| Parent Compound | CHEMBL4595333 |
| Active Moiety | CHEMBL4595333 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
453.5
MW (Da)
5.53
ALogP
5
HBA
2
HBD
101.3
PSA (Ų)
0.28
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine kinase 2 CHEMBL3023 | Ki | 6.43 | 6.43 | 370.0 | 1 |
| Sphingosine kinase 2 CHEMBL1075305 | Ki | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine kinase 2 | Ki | = | 370.0 | nM | 6.43 | Inhibition of recombinant human SphK2 expressed in baculovirus infected Sf9 cell... | 31895563 |
| Sphingosine kinase 2 | Ki | = | 400.0 | nM | 6.4 | Inhibition of recombinant mouse SphK2 expressed in baculovirus infected Sf9 inse... | 31895563 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31895563 | 10.1021/acs.jmedchem.9b01508 | Sphingosine kinase 2 | 4 |
| 31895563 | 10.1021/acs.jmedchem.9b01508 | Unchecked | 2 |
| 31895563 | 10.1021/acs.jmedchem.9b01508 | Sphingosine kinase 1 | 2 |
Data from ChEMBL 36 via Core Engine