Compound Detail
CHEMBL1589684
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 | CHEMBL1589684 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYJYKSURZQKSHD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
5.48
ALogP
4
HBA
1
HBD
60.7
PSA (Ų)
0.59
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 4 CHEMBL3230 | IC50 | 6.38 | 6.38 | 414.0 | 1 |
| Sphingosine 1-phosphate receptor 5 CHEMBL2274 | IC50 | 4.72 | 4.72 | 19150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 4 | IC50 | = | 414.0 | nM | 6.38 | PUBCHEM_BIOASSAY: Late stage fluorescence dose response cell-based screening ass... | - |
| Sphingosine 1-phosphate receptor 5 | IC50 | = | 19150.0 | nM | 4.72 | PUBCHEM_BIOASSAY: Late stage counterscreen assay for S1P4 antagonists: Fluoresce... | - |
Data from ChEMBL 36 via Core Engine