Compound Detail
CHEMBL5598743
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Basic Information
| ChEMBL ID | CHEMBL5598743 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUKQDZDSPDEBLC-HSZRJFAPSA-N |
6
Targets
13
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
426.0
MW (Da)
4.27
ALogP
4
HBA
3
HBD
62.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 11 meas. best 7.7
EC50 2 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nonstructural protein 3 CHEMBL4523954 | IC50 | 7.7 | 7.0129 | 20.0 | 7 |
| NS3 CHEMBL5705861 | IC50 | 6.73 | 6.73 | 186.0 | 1 |
| Zika virus CHEMBL4296612 | EC50 | 5.5 | 5.5 | 3193.0 | 1 |
| dengue virus type 2 CHEMBL613966 | EC50 | 4.44 | 4.44 | 36024.0 | 1 |
| Genome polyprotein CHEMBL5980 | IC50 | 4.42 | 4.335 | 37726.0 | 2 |
| NS3 protease CHEMBL5705863 | IC50 | 4.27 | 4.27 | 53424.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5604062 | Nonstructural protein 3 | 7 |
| - | 10.6019/CHEMBL5604063 | Genome polyprotein | 6 |
| - | 10.6019/CHEMBL5661943 | Zika virus | 6 |
| - | 10.6019/CHEMBL5661955 | ADMET | 6 |
| - | 10.6019/CHEMBL5661943 | dengue virus type 2 | 4 |
| - | 10.6019/CHEMBL5598561 | Nonstructural protein 3 | 3 |
| - | 10.6019/CHEMBL5604061 | NS3 | 1 |
| - | 10.6019/CHEMBL5604064 | NS3 protease | 1 |
| - | 10.6019/CHEMBL5604065 | NS3 protease | 1 |
| - | 10.6019/CHEMBL5604066 | NS3 protease | 1 |
Data from ChEMBL 36 via Core Engine