Compound Detail
CHEMBL516035
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 | CHEMBL516035 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WUXNTVXUIHVAQN-NRFANRHFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
452.4
MW (Da)
2.86
ALogP
6
HBA
4
HBD
140.3
PSA (Ų)
0.28
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | IC50 | 8.32 | 8.32 | 4.8 | 1 |
| Sphingosine 1-phosphate receptor 3 CHEMBL3892 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 | IC50 | = | 4.75 | nM | 8.32 | Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor | 19282175 |
| Sphingosine 1-phosphate receptor 3 | IC50 | = | 100.0 | nM | 7.0 | Displacement of [33P]sphingosine-1-phosphate from human S1P3 receptor | 19282175 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19282175 | 10.1016/j.bmcl.2009.02.073 | Sphingosine 1-phosphate receptor 1 | 1 |
| 19282175 | 10.1016/j.bmcl.2009.02.073 | Sphingosine 1-phosphate receptor 3 | 1 |
| 19282175 | 10.1016/j.bmcl.2009.02.073 | Sphingosine 1-phosphate receptor 4 | 1 |
| 19282175 | 10.1016/j.bmcl.2009.02.073 | Sphingosine 1-phosphate receptor 5 | 1 |
| 19282175 | 10.1016/j.bmcl.2009.02.073 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine