Compound Detail
CHEMBL1916553
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Basic Information
| ChEMBL ID | CHEMBL1916553 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMWDLSZWNCXLBK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
398.3
MW (Da)
5.32
ALogP
4
HBA
1
HBD
67.6
PSA (Ų)
0.46
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | EC50 | 8.37 | 8.37 | 4.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 | EC50 | = | 4.3 | nM | 8.37 | Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as in... | 21852130 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21852130 | 10.1016/j.bmcl.2011.05.110 | Sphingosine 1-phosphate receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine