Compound Detail
CHEMBL2018313
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Basic Information
| ChEMBL ID | CHEMBL2018313 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWDOWALFHQSDSH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
367.8
MW (Da)
4.56
ALogP
4
HBA
2
HBD
92.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | EC50 | 5.5 | 5.5 | 3162.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 | EC50 | = | 3162.28 | nM | 5.5 | Agonist activity at S1P1 receptor by Tango assay | 22429468 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22429468 | 10.1016/j.bmcl.2012.02.083 | Sphingosine 1-phosphate receptor 1 | 1 |
| 22429468 | 10.1016/j.bmcl.2012.02.083 | Sphingosine 1-phosphate receptor 3 | 1 |
Data from ChEMBL 36 via Core Engine