Compound Detail
CHEMBL363008
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 | CHEMBL363008 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEIHEVGZGIEZLO-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
377.5
MW (Da)
4.51
ALogP
3
HBA
3
HBD
81.0
PSA (Ų)
0.29
QED
0
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 3 CHEMBL3892 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| Sphingosine 1-phosphate receptor 5 CHEMBL2274 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Sphingosine 1-phosphate receptor 4 CHEMBL3230 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 3 | IC50 | = | 17.0 | nM | 7.77 | Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 3 expr... | 15341940 |
| Sphingosine 1-phosphate receptor 5 | IC50 | = | 40.0 | nM | 7.4 | Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expr... | 15341940 |
| Sphingosine 1-phosphate receptor 1 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expr... | 15341940 |
| Sphingosine 1-phosphate receptor 4 | IC50 | = | 150.0 | nM | 6.82 | Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 4 expr... | 15341940 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15341940 | 10.1016/j.bmcl.2004.07.049 | Sphingosine 1-phosphate receptor 1 | 1 |
| 15341940 | 10.1016/j.bmcl.2004.07.049 | Sphingosine 1-phosphate receptor 2 | 1 |
| 15341940 | 10.1016/j.bmcl.2004.07.049 | Sphingosine 1-phosphate receptor 3 | 1 |
| 15341940 | 10.1016/j.bmcl.2004.07.049 | Sphingosine 1-phosphate receptor 4 | 1 |
| 15341940 | 10.1016/j.bmcl.2004.07.049 | Sphingosine 1-phosphate receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine