Compound Detail
CHEMBL247698
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 | CHEMBL247698 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXYHOMLATOQDGJ-VAMGGRTRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
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 2 meas. best 6.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 5 CHEMBL2274 | EC50 | 6.87 | 6.87 | 133.8 | 1 |
| Sphingosine 1-phosphate receptor 4 CHEMBL3230 | EC50 | 6.46 | 6.46 | 347.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 5 | EC50 | = | 133.8 | nM | 6.87 | Activity at human recombinant S1P5 receptor expressed in CHO cells assessed as i... | 17070046 |
| Sphingosine 1-phosphate receptor 4 | EC50 | = | 347.0 | nM | 6.46 | Activity at human recombinant S1P4 receptor expressed in CHO cells assessed as i... | 17070046 |
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 |
Data from ChEMBL 36 via Core Engine