Compound Detail
CHEMBL5605274
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Basic Information
| ChEMBL ID | CHEMBL5605274 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IAWDKLKAHUSWNE-UHFFFAOYSA-N |
6
Targets
11
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
390.4
MW (Da)
4.36
ALogP
3
HBA
3
HBD
69.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 11 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nonstructural protein 3 CHEMBL4523954 | IC50 | 7.89 | 7.7233 | 13.0 | 3 |
| NS3 CHEMBL5705861 | IC50 | 5.62 | 5.62 | 2393.0 | 1 |
| NS3 protease CHEMBL5705863 | IC50 | 5.46 | 5.46 | 3444.0 | 1 |
| NS3 protease CHEMBL5705862 | IC50 | 5.41 | 5.41 | 3856.0 | 1 |
| Genome polyprotein CHEMBL5980 | IC50 | 5.37 | 4.9175 | 4234.0 | 4 |
| NS3 protease CHEMBL5705864 | IC50 | 5.28 | 5.28 | 5232.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5604063 | Genome polyprotein | 4 |
| - | 10.6019/CHEMBL5604062 | Nonstructural protein 3 | 3 |
| - | 10.6019/CHEMBL5604064 | NS3 protease | 1 |
| - | 10.6019/CHEMBL5604065 | NS3 protease | 1 |
| - | 10.6019/CHEMBL5604066 | NS3 protease | 1 |
| - | 10.6019/CHEMBL5604061 | NS3 | 1 |
Data from ChEMBL 36 via Core Engine