Compound Detail
CHEMBL1090782
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
CNC(=O)c1cc(NC(=O)[C@@](C)(N)COP(=O)(O)O)ccc1OCCc1ccc(-c2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL1090782 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DRHULOVBBFRMJV-SANMLTNESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
527.5
MW (Da)
3.10
ALogP
6
HBA
5
HBD
160.2
PSA (Ų)
0.24
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 | IC50 | = | 500.0 | nM | 6.3 | Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed ... | 20304639 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20304639 | 10.1016/j.bmcl.2010.02.098 | Sphingosine 1-phosphate receptor 1 | 1 |
| 20304639 | 10.1016/j.bmcl.2010.02.098 | Sphingosine 1-phosphate receptor 3 | 1 |
Data from ChEMBL 36 via Core Engine