Compound Detail
CHEMBL1419909
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 | CHEMBL1419909 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABGNBUFUIFDYCP-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
333.3
MW (Da)
3.25
ALogP
5
HBA
0
HBD
93.4
PSA (Ų)
0.41
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.79
EC50 1 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 4 CHEMBL3230 | IC50 | 5.79 | 5.79 | 1621.0 | 1 |
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | IC50 | 5.46 | 5.46 | 3429.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.34 | 5.34 | 4579.0 | 1 |
| Polyadenylate-binding protein 1 CHEMBL1293286 | IC50 | 4.63 | 4.63 | 23400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 4 | IC50 | = | 1621.0 | nM | 5.79 | PUBCHEM_BIOASSAY: Fluorescence dose response cell-based high throughput screenin... | - |
| Sphingosine 1-phosphate receptor 1 | IC50 | = | 3429.0 | nM | 5.46 | PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: C... | - |
| Unchecked | EC50 | = | 4579.0 | nM | 5.34 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Polyadenylate-binding protein 1 | IC50 | = | 23400.0 | nM | 4.63 | PUBCHEM_BIOASSAY: Dose-response confirmation of microRNA-mediated mRNA deacetyla... | - |
Data from ChEMBL 36 via Core Engine