Compound Detail
CHEMBL1916404
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
O=C(O)CCCn1ncc2cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc21
Basic Information
| ChEMBL ID | CHEMBL1916404 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDKYMGHOUKZROP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
484.4
MW (Da)
5.66
ALogP
6
HBA
1
HBD
94.0
PSA (Ų)
0.36
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | EC50 | 8.31 | 8.31 | 4.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 | EC50 | = | 4.9 | nM | 8.31 | 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