Compound Detail
CHEMBL228139
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 | CHEMBL228139 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVRDRLVEBSVBGO-LJQANCHMSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
4.20
ALogP
3
HBA
4
HBD
112.7
PSA (Ų)
0.28
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | EC50 | 8.44 | 8.44 | 3.6 | 1 |
| Sphingosine 1-phosphate receptor 5 CHEMBL2274 | EC50 | 7.52 | 7.52 | 30.0 | 1 |
| Sphingosine 1-phosphate receptor 3 CHEMBL3892 | EC50 | 7.37 | 7.37 | 43.0 | 1 |
| Sphingosine 1-phosphate receptor 4 CHEMBL3230 | EC50 | 6.64 | 6.64 | 230.0 | 1 |
| Sphingosine 1-phosphate receptor 2 CHEMBL2955 | EC50 | 6.57 | 6.57 | 270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 | EC50 | = | 3.6 | nM | 8.44 | Activity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S b... | 17113298 |
| Sphingosine 1-phosphate receptor 5 | EC50 | = | 30.0 | nM | 7.52 | Activity at human S1P5 receptor expressed in HEK293T cells by [35S]GTP-gamma-S b... | 17113298 |
| Sphingosine 1-phosphate receptor 3 | EC50 | = | 43.0 | nM | 7.37 | Activity at human S1P3 receptor expressed in HEK293T cells by [35S]GTP-gamma-S b... | 17113298 |
| Sphingosine 1-phosphate receptor 4 | EC50 | = | 230.0 | nM | 6.64 | Activity at human S1P4 receptor expressed in HEK293T cells by [35S]GTP-gamma-S b... | 17113298 |
| Sphingosine 1-phosphate receptor 2 | EC50 | = | 270.0 | nM | 6.57 | Activity at human S1P2 receptor expressed in HEK293T cells by [35S]GTP-gamma-S b... | 17113298 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17113298 | 10.1016/j.bmc.2006.10.060 | Sphingosine 1-phosphate receptor 1 | 2 |
| 17113298 | 10.1016/j.bmc.2006.10.060 | Sphingosine 1-phosphate receptor 2 | 2 |
| 17113298 | 10.1016/j.bmc.2006.10.060 | Sphingosine 1-phosphate receptor 3 | 2 |
| 17113298 | 10.1016/j.bmc.2006.10.060 | Sphingosine 1-phosphate receptor 4 | 2 |
| 17113298 | 10.1016/j.bmc.2006.10.060 | Sphingosine 1-phosphate receptor 5 | 2 |
Data from ChEMBL 36 via Core Engine