Compound Detail
CHEMBL2409864
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[C@]1(O)CCN(CCc2ccc(Nc3nc(-c4ccc5ccccc5c4)cs3)cc2)[C@@H](CO)C1
Basic Information
| ChEMBL ID | CHEMBL2409864 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAYQKHMTNWTGHH-NAKRPHOHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
473.6
MW (Da)
5.46
ALogP
6
HBA
3
HBD
68.6
PSA (Ų)
0.33
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine kinase 1 CHEMBL4394 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
| Sphingosine kinase 2 CHEMBL3023 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine kinase 1 | IC50 | = | 230.0 | nM | 6.64 | Inhibition of purified human SphK1 assessed as inhibition of formation of [33P]-... | 23845219 |
| Sphingosine kinase 2 | IC50 | = | 3800.0 | nM | 5.42 | 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