Compound Detail
CHEMBL204861
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Basic Information
| ChEMBL ID | CHEMBL204861 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHXGDHJACHVGRB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
450.5
MW (Da)
5.00
ALogP
4
HBA
2
HBD
70.2
PSA (Ų)
0.37
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 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 |
| BHK-21 CHEMBL614527 | EC50 | 4.64 | 4.64 | 23000.0 | 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 |
| BHK-21 | EC50 | = | 23000.0 | nM | 4.64 | Inhibition of West Nile virus VLP replicon in BHK21 cell line | 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