Compound Detail
CHEMBL1331049
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Basic Information
| ChEMBL ID | CHEMBL1331049 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXWYLQAIPQJIPG-MDZDMXLPSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
295.4
MW (Da)
4.48
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 4 CHEMBL3230 | IC50 | 6.47 | 6.27 | 338.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 4 | IC50 | = | 338.5 | nM | 6.47 | PUBCHEM_BIOASSAY: Late stage fluorescence dose response cell-based screening ass... | - |
| Sphingosine 1-phosphate receptor 4 | IC50 | = | 852.0 | nM | 6.07 | PUBCHEM_BIOASSAY: Fluorescence dose response cell-based high throughput screenin... | - |
Data from ChEMBL 36 via Core Engine