Compound Detail
CHEMBL5605739
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Basic Information
| ChEMBL ID | CHEMBL5605739 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYGZLVGHOHVLIF-HXUWFJFHSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
397.9
MW (Da)
3.74
ALogP
4
HBA
4
HBD
81.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.27
EC50 1 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nonstructural protein 3 CHEMBL4523954 | IC50 | 7.27 | 7.195 | 54.0 | 2 |
| NS3 CHEMBL5705861 | IC50 | 6.19 | 6.19 | 643.0 | 1 |
| Zika virus CHEMBL4296612 | EC50 | 4.85 | 4.85 | 14179.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nonstructural protein 3 | IC50 | = | 54.0 | nM | 7.27 | Functional biochemical assay to identify treatments for viral infectious disease... | - |
| Nonstructural protein 3 | IC50 | = | 75.0 | nM | 7.12 | Functional biochemical assay to identify treatments for viral infectious disease... | - |
| NS3 | IC50 | = | 643.0 | nM | 6.19 | Functional biochemical assay to identify treatments for viral infectious disease... | - |
| Zika virus | EC50 | = | 14179.0 | nM | 4.85 | Functional CPE-based assay to measure dose dependent changes in antiviral-drug i... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5604063 | Genome polyprotein | 2 |
| - | 10.6019/CHEMBL5604062 | Nonstructural protein 3 | 2 |
| - | 10.6019/CHEMBL5661943 | Zika virus | 2 |
| - | 10.6019/CHEMBL5661943 | dengue virus type 2 | 2 |
| - | 10.6019/CHEMBL5661955 | ADMET | 2 |
| - | 10.6019/CHEMBL5604061 | NS3 | 1 |
Data from ChEMBL 36 via Core Engine