Compound Detail
CHEMBL5605005
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Basic Information
| ChEMBL ID | CHEMBL5605005 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANJYNXDELIQJBA-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
420.9
MW (Da)
5.94
ALogP
3
HBA
3
HBD
91.4
PSA (Ų)
0.37
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.38
EC50 1 meas. best 4.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Genome polyprotein CHEMBL5980 | IC50 | 5.38 | 5.2133 | 4177.0 | 3 |
| Nonstructural protein 3 CHEMBL4523954 | IC50 | 4.93 | 4.93 | 11762.0 | 1 |
| dengue virus type 2 CHEMBL613966 | EC50 | 4.56 | 4.56 | 27642.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Genome polyprotein | IC50 | = | 4177.0 | nM | 5.38 | Functional biochemical assay to identify treatments for viral infectious disease... | - |
| Genome polyprotein | IC50 | = | 7404.0 | nM | 5.13 | Functional biochemical assay to identify treatments for viral infectious disease... | - |
| Genome polyprotein | IC50 | = | 7416.0 | nM | 5.13 | Functional biochemical assay to identify treatments for viral infectious disease... | - |
| Nonstructural protein 3 | IC50 | = | 11762.0 | nM | 4.93 | Functional biochemical assay to identify treatments for viral infectious disease... | - |
| dengue virus type 2 | EC50 | = | 27642.0 | nM | 4.56 | Functional assay to measure dose dependent changes in antiviral-drug inhibitory ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5661943 | Zika virus | 4 |
| - | 10.6019/CHEMBL5604063 | Genome polyprotein | 3 |
| - | 10.6019/CHEMBL5661955 | ADMET | 3 |
| - | 10.6019/CHEMBL5661943 | dengue virus type 2 | 2 |
| - | 10.6019/CHEMBL5604062 | Nonstructural protein 3 | 1 |
Data from ChEMBL 36 via Core Engine