Compound Detail
CHEMBL565114
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Basic Information
| ChEMBL ID | CHEMBL565114 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQOOPKPLAFDHEQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
3.93
ALogP
7
HBA
4
HBD
100.2
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Genome polyprotein CHEMBL5419 | IC50 | 4.97 | 4.97 | 10600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Genome polyprotein | IC50 | = | 10600.0 | nM | 4.97 | Inhibition of WNV NS2B-NS3 protease | 19572550 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19572550 | 10.1021/jm900448m | Genome polyprotein | 1 |
Data from ChEMBL 36 via Core Engine