Compound Detail
CHEMBL1341200
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Basic Information
| ChEMBL ID | CHEMBL1341200 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSTCJSDHMGSFMA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
328.3
MW (Da)
2.18
ALogP
6
HBA
0
HBD
80.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 4 CHEMBL3230 | EC50 | 5.39 | 5.39 | 4060.0 | 1 |
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | EC50 | 5.06 | 5.06 | 8750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 4 | EC50 | = | 4060.0 | nM | 5.39 | PUBCHEM_BIOASSAY: Fluorescence dose response cell-based high throughput screenin... | - |
| Sphingosine 1-phosphate receptor 1 | EC50 | = | 8750.0 | nM | 5.06 | PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell... | - |
Data from ChEMBL 36 via Core Engine