Compound Detail
CHEMBL1409828
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Basic Information
| ChEMBL ID | CHEMBL1409828 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRUYZQVRGWGPMI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
328.3
MW (Da)
2.78
ALogP
7
HBA
0
HBD
96.0
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 4 CHEMBL3230 | EC50 | 6.11 | 6.11 | 785.0 | 1 |
| Sphingosine 1-phosphate receptor 2 CHEMBL2955 | EC50 | 5.7 | 5.7 | 1988.0 | 1 |
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | EC50 | 5.68 | 5.68 | 2080.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 4 | EC50 | = | 785.0 | nM | 6.11 | PUBCHEM_BIOASSAY: Fluorescence dose response cell-based high throughput screenin... | - |
| Sphingosine 1-phosphate receptor 2 | EC50 | = | 1988.0 | nM | 5.7 | PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Recept... | - |
| Sphingosine 1-phosphate receptor 1 | EC50 | = | 2080.0 | nM | 5.68 | PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell... | - |
Data from ChEMBL 36 via Core Engine