Compound Detail
CHEMBL202885
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Basic Information
| ChEMBL ID | CHEMBL202885 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWGLGQHIGMBQRK-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
366.9
MW (Da)
5.39
ALogP
3
HBA
0
HBD
32.7
PSA (Ų)
0.61
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vero CHEMBL391 | EC50 | 4.82 | 4.82 | 15000.0 | 1 |
| BHK-21 CHEMBL614527 | EC50 | 4.82 | 4.82 | 15000.0 | 1 |
| dengue virus type 1 CHEMBL613360 | EC50 | 4.77 | 4.77 | 17000.0 | 1 |
| West Nile virus CHEMBL613730 | EC50 | 4.77 | 4.6533 | 17000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BHK-21 | EC50 | = | 15000.0 | nM | 4.82 | Inhibition of West Nile virus VLP replicon in BHK21 cell line | 16539402 |
| Vero | EC50 | = | 15000.0 | nM | 4.82 | Inhibition of West Nile viral Rluc-Neo-Rep in Vero cells | 16539402 |
| West Nile virus | EC50 | = | 17000.0 | nM | 4.77 | Inhibition of West Nile viral Rluc-Neo-Rep in BHK21 cell line | 16539402 |
| dengue virus type 1 | EC50 | = | 17000.0 | nM | 4.77 | Antiviral activity against Dengue virus 1 Western Pacific 74 infected in african... | 26771861 |
| West Nile virus | EC50 | = | 23000.0 | nM | 4.64 | Inhibition of Rluc-FL-WNV replicon in Vero cells | 16539402 |
| West Nile virus | EC50 | = | 28000.0 | nM | 4.55 | Antiviral activity against West Nile virus 3356 infected in african green monkey... | 26771861 |
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 | 2 |
| 26771861 | 10.1021/acs.jmedchem.5b01653 | dengue virus type 1 | 1 |
| 26771861 | 10.1021/acs.jmedchem.5b01653 | West Nile virus | 1 |
Data from ChEMBL 36 via Core Engine