Compound Detail
CHEMBL2158686
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
Basic Information
| ChEMBL ID | CHEMBL2158686 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEYZALQTJCVXIJ-HXUWFJFHSA-N |
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
321.5
MW (Da)
3.86
ALogP
3
HBA
2
HBD
55.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 4.78
IC50 1 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine kinase 2 CHEMBL3023 | Ki | 4.78 | 4.738 | 16500.0 | 5 |
| Sphingosine kinase 2 CHEMBL3023 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine kinase 2 | Ki | = | 16500.0 | nM | 4.78 | Inhibition of SphK2 using sphingosine as substrate and [32gammaP]ATP after 15 to... | 22321213 |
| Sphingosine kinase 2 | Ki | = | 16500.0 | nM | 4.78 | Inhibition of SK2 (unknown origin) | 24396570 |
| Sphingosine kinase 2 | Ki | = | 16500.0 | nM | 4.78 | Inhibition of SphK2 (unknown origin) | 26985306 |
| Sphingosine kinase 2 | Ki | = | 16500.0 | nM | 4.78 | Inhibition of recombinant SphK2 (unknown origin) using sphingosine as substrate ... | 32919113 |
| Sphingosine kinase 2 | IC50 | = | 27000.0 | nM | 4.57 | Inhibition of human SphK2 using sphingosine as substrate after 15 to 20 mins in ... | 28408190 |
| Sphingosine kinase 2 | Ki | = | 27000.0 | nM | 4.57 | Inhibition of SphK2 (unknown origin) | 24471412 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22321213 | 10.1016/j.bmcl.2012.01.050 | Sphingosine kinase 2 | 1 |
| 24396570 | 10.1039/c3md00201b | Sphingosine kinase 2 | 1 |
| 24471412 | 10.1021/jm4011687 | Sphingosine kinase 2 | 1 |
| 26985306 | 10.1021/acsmedchemlett.5b00304 | Sphingosine kinase 1 | 1 |
| 26985306 | 10.1021/acsmedchemlett.5b00304 | Sphingosine kinase 2 | 1 |
| 28408190 | 10.1016/j.bmc.2017.03.059 | Sphingosine kinase 1 | 1 |
| 28408190 | 10.1016/j.bmc.2017.03.059 | Sphingosine kinase 2 | 1 |
| 32919113 | 10.1016/j.ejmech.2020.112713 | Sphingosine kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine