Compound Detail
CHEMBL5606160
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Basic Information
| ChEMBL ID | CHEMBL5606160 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWEGWCUYPPIYDT-UHFFFAOYSA-N |
7
Targets
11
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
372.4
MW (Da)
4.22
ALogP
3
HBA
3
HBD
69.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 7.72
EC50 1 meas. best 5.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nonstructural protein 3 CHEMBL4523954 | IC50 | 7.72 | 7.18 | 19.0 | 3 |
| Zika virus CHEMBL4296612 | EC50 | 5.67 | 5.67 | 2130.0 | 1 |
| NS3 protease CHEMBL5705863 | IC50 | 5.45 | 5.45 | 3568.0 | 1 |
| NS3 protease CHEMBL5705862 | IC50 | 5.43 | 5.43 | 3672.0 | 1 |
| NS3 protease CHEMBL5705864 | IC50 | 5.27 | 5.27 | 5405.0 | 1 |
| Genome polyprotein CHEMBL5980 | IC50 | 5.24 | 5.1633 | 5748.0 | 3 |
| NS3 CHEMBL5705861 | IC50 | 4.8 | 4.8 | 15985.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5661943 | Zika virus | 4 |
| - | 10.6019/CHEMBL5661943 | dengue virus type 2 | 4 |
| - | 10.6019/CHEMBL5661955 | ADMET | 4 |
| - | 10.6019/CHEMBL5604063 | Genome polyprotein | 3 |
| - | 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