Compound Detail
CHEMBL393055
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 | CHEMBL393055 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKHSWCUVNLYVPR-VAMGGRTRSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
399.5
MW (Da)
3.51
ALogP
4
HBA
4
HBD
99.0
PSA (Ų)
0.32
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 4 CHEMBL3230 | EC50 | 8.13 | 8.13 | 7.4 | 2 |
| Sphingosine 1-phosphate receptor 5 CHEMBL2274 | EC50 | 7.99 | 7.99 | 10.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 4 | EC50 | = | 7.4 | nM | 8.13 | Activity at human recombinant S1P4 receptor expressed in CHO cells assessed as i... | 17070046 |
| Sphingosine 1-phosphate receptor 4 | EC50 | = | 7.4 | nM | 8.13 | Agonist activity at S1P4 receptor in human U2OS cells expressing VP16-GAL4 trans... | 21982495 |
| Sphingosine 1-phosphate receptor 5 | EC50 | = | 10.2 | nM | 7.99 | Activity at human recombinant S1P5 receptor expressed in CHO cells assessed as i... | 17070046 |
| Sphingosine 1-phosphate receptor 5 | EC50 | = | 10.2 | nM | 7.99 | Agonist activity at S1P5 receptor | 21982495 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17070046 | 10.1016/j.bmcl.2006.10.014 | Sphingosine 1-phosphate receptor 1 | 1 |
| 17070046 | 10.1016/j.bmcl.2006.10.014 | Sphingosine 1-phosphate receptor 3 | 1 |
| 17070046 | 10.1016/j.bmcl.2006.10.014 | Sphingosine 1-phosphate receptor 4 | 1 |
| 17070046 | 10.1016/j.bmcl.2006.10.014 | Sphingosine 1-phosphate receptor 5 | 1 |
| 21982495 | 10.1016/j.bmcl.2011.09.049 | Sphingosine 1-phosphate receptor 4 | 1 |
| 21982495 | 10.1016/j.bmcl.2011.09.049 | Sphingosine 1-phosphate receptor 1 | 1 |
| 21982495 | 10.1016/j.bmcl.2011.09.049 | Sphingosine 1-phosphate receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine