Compound Detail
CHEMBL115131
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 | CHEMBL115131 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATISRFOLHJLTMH-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
355.5
MW (Da)
4.13
ALogP
3
HBA
2
HBD
80.4
PSA (Ų)
0.41
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Sphingosine 1-phosphate receptor 2 CHEMBL2955 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
| Sphingosine 1-phosphate receptor 3 CHEMBL3892 | IC50 | 5.12 | 5.12 | 7600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expr... | 15149705 |
| Sphingosine 1-phosphate receptor 2 | IC50 | = | 4400.0 | nM | 5.36 | Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expr... | 15149705 |
| Sphingosine 1-phosphate receptor 3 | IC50 | = | 7600.0 | nM | 5.12 | Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 3 expr... | 15149705 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15149705 | 10.1016/j.bmcl.2004.02.106 | Sphingosine 1-phosphate receptor 1 | 1 |
| 15149705 | 10.1016/j.bmcl.2004.02.106 | Sphingosine 1-phosphate receptor 3 | 1 |
| 15149705 | 10.1016/j.bmcl.2004.02.106 | Sphingosine 1-phosphate receptor 4 | 1 |
| 15149705 | 10.1016/j.bmcl.2004.02.106 | Sphingosine 1-phosphate receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine