Compound Detail
CHEMBL5605884
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Basic Information
| ChEMBL ID | CHEMBL5605884 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSNSRDZODMLYIE-OAQYLSRUSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
416.0
MW (Da)
4.45
ALogP
4
HBA
3
HBD
53.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nonstructural protein 3 CHEMBL4523954 | IC50 | 7.31 | 7.26 | 49.0 | 2 |
| NS3 CHEMBL5705861 | IC50 | 6.29 | 6.29 | 514.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nonstructural protein 3 | IC50 | = | 49.0 | nM | 7.31 | Functional biochemical assay to identify treatments for viral infectious disease... | - |
| Nonstructural protein 3 | IC50 | = | 62.0 | nM | 7.21 | Functional biochemical assay to identify treatments for viral infectious disease... | - |
| NS3 | IC50 | = | 514.0 | nM | 6.29 | Functional biochemical assay to identify treatments for viral infectious disease... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5604063 | Genome polyprotein | 2 |
| - | 10.6019/CHEMBL5604062 | Nonstructural protein 3 | 2 |
| - | 10.6019/CHEMBL5604061 | NS3 | 1 |
Data from ChEMBL 36 via Core Engine