Compound Detail
CHEMBL1774559
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Basic Information
| ChEMBL ID | CHEMBL1774559 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWCIGLRNJJXBOA-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1789764 |
| Active Moiety | CHEMBL1789764 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
399.6
MW (Da)
5.04
ALogP
3
HBA
3
HBD
88.2
PSA (Ų)
0.26
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine kinase 1 CHEMBL4394 | Ki | 6.41 | 6.41 | 390.0 | 1 |
| Sphingosine kinase 2 CHEMBL1075305 | Ki | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine kinase 1 | Ki | = | 390.0 | nM | 6.41 | Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cell... | 21495716 |
| Sphingosine kinase 2 | Ki | = | 12000.0 | nM | 4.92 | Inhibition of mouse recombinant SPHK2 expressed in baculovirus-infected Sf9 cell... | 21495716 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21495716 | 10.1021/jm2001053 | Sphingosine kinase 1 | 1 |
| 21495716 | 10.1021/jm2001053 | Sphingosine kinase 2 | 1 |
| 21495716 | 10.1021/jm2001053 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine