Compound Detail
CHEMBL3813833
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 | CHEMBL3813833 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMPUGRNLHOSEBK-FYZYNONXSA-N |
| Parent Compound | CHEMBL3815244 |
| Active Moiety | CHEMBL3815244 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
4.49
ALogP
5
HBA
2
HBD
101.3
PSA (Ų)
0.35
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine kinase 2 CHEMBL3023 | Ki | 6.01 | 6.01 | 980.0 | 1 |
| Sphingosine kinase 1 CHEMBL4394 | Ki | 5.14 | 5.14 | 7200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine kinase 2 | Ki | = | 980.0 | nM | 6.01 | Inhibition of human recombinant SphK2 using sphingosine as substrate incubated f... | 26985306 |
| Sphingosine kinase 1 | Ki | = | 7200.0 | nM | 5.14 | Inhibition of human recombinant SphK1 using sphingosine as substrate incubated f... | 26985306 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26985306 | 10.1021/acsmedchemlett.5b00304 | Sphingosine kinase 1 | 2 |
| 26985306 | 10.1021/acsmedchemlett.5b00304 | Sphingosine kinase 2 | 2 |
| 26985306 | 10.1021/acsmedchemlett.5b00304 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine