Compound Detail
CHEMBL204596
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 | CHEMBL204596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKXQODKLUHWLGG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
436.6
MW (Da)
6.01
ALogP
3
HBA
2
HBD
61.0
PSA (Ų)
0.31
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BHK-21 CHEMBL614527 | EC50 | 5.05 | 5.05 | 9000.0 | 1 |
| West Nile virus CHEMBL613730 | EC50 | 5.04 | 4.87 | 9200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BHK-21 | EC50 | = | 9000.0 | nM | 5.05 | Inhibition of West Nile virus VLP replicon in BHK21 cell line | 16539402 |
| West Nile virus | EC50 | = | 9200.0 | nM | 5.04 | Inhibition of West Nile viral Rluc-Neo-Rep in BHK21 cell line | 16539402 |
| West Nile virus | EC50 | = | 20000.0 | nM | 4.7 | Inhibition of Rluc-FL-WNV replicon in Vero cells | 16539402 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16539402 | 10.1021/jm051229y | West Nile virus | 2 |
| 16539402 | 10.1021/jm051229y | BHK-21 | 2 |
| 16539402 | 10.1021/jm051229y | ADMET | 2 |
| 16539402 | 10.1021/jm051229y | Vero | 1 |
Data from ChEMBL 36 via Core Engine