Compound Detail
CHEMBL539922
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Basic Information
| ChEMBL ID | CHEMBL539922 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SNZCQHCDDUOMCH-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
242.2
MW (Da)
0.24
ALogP
3
HBA
4
HBD
113.7
PSA (Ų)
0.26
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.85
Ki 1 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Genome polyprotein CHEMBL5419 | Ki | 4.89 | 4.89 | 13000.0 | 1 |
| Genome polyprotein CHEMBL3559678 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Genome polyprotein | Ki | = | 13000.0 | nM | 4.89 | Inhibition of WNV NS2B-NS3 protease | 19572550 |
| Genome polyprotein | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of dengue virus NS2B-NS3 protease | 25305334 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19572550 | 10.1021/jm900448m | Genome polyprotein | 1 |
| 25305334 | 10.1016/j.ejmech.2014.10.010 | Genome polyprotein | 1 |
Data from ChEMBL 36 via Core Engine