Compound Detail
CHEMBL1092481
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Basic Information
| ChEMBL ID | CHEMBL1092481 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APHADGNZJGOQKN-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1199283 |
| Active Moiety | CHEMBL1199283 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
371.6
MW (Da)
5.35
ALogP
2
HBA
3
HBD
79.0
PSA (Ų)
0.23
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine kinase 1 CHEMBL4394 | Ki | 6.7 | 6.7 | 200.0 | 1 |
| Sphingosine kinase 2 CHEMBL3023 | Ki | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine kinase 1 | Ki | = | 200.0 | nM | 6.7 | Inhibition of purified human SphK1 assessed as inhibition of formation of [33P]-... | 23845219 |
| Sphingosine kinase 2 | Ki | = | 500.0 | nM | 6.3 | Inhibition of purified human SphK2 assessed as inhibition of formation of [33P]-... | 23845219 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20205392 | 10.1021/jm901860h | Sphingosine kinase 2 | 2 |
| 20205392 | 10.1021/jm901860h | Sphingosine kinase 1 | 2 |
| 20205392 | 10.1021/jm901860h | Diacylglycerol kinase gamma | 1 |
| 20205392 | 10.1021/jm901860h | Diacylglycerol kinase delta | 1 |
| 20205392 | 10.1021/jm901860h | Diacylglycerol kinase epsilon | 1 |
| 20205392 | 10.1021/jm901860h | Protein kinase C alpha type | 1 |
| 21495716 | 10.1021/jm2001053 | Sphingosine kinase 1 | 1 |
| 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