Compound Detail
CHEMBL203598
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 | CHEMBL203598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YREKUTRUZDJUJZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
360.8
MW (Da)
5.33
ALogP
2
HBA
0
HBD
32.7
PSA (Ų)
0.62
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| West Nile virus CHEMBL613730 | EC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| West Nile virus | EC50 | = | 20000.0 | nM | 4.7 | Inhibition of West Nile viral Rluc-Neo-Rep in BHK21 cell line | 16539402 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16539402 | 10.1021/jm051229y | West Nile virus | 1 |
| 16539402 | 10.1021/jm051229y | BHK-21 | 1 |
| 16539402 | 10.1021/jm051229y | ADMET | 1 |
Data from ChEMBL 36 via Core Engine