Compound Detail
CHEMBL5631592
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Basic Information
| ChEMBL ID | CHEMBL5631592 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SKIYQGNJAUFZQA-FTBISJDPSA-N |
| Parent Compound | CHEMBL6068738 |
| Active Moiety | CHEMBL6068738 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
567.8
MW (Da)
5.45
ALogP
10
HBA
3
HBD
136.9
PSA (Ų)
0.08
QED
2
Ro5 Violations
24
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human adenovirus 5 CHEMBL612237 | IC50 | 6.59 | 6.59 | 255.0 | 1 |
| Vaccinia virus CHEMBL613493 | IC50 | 6.07 | 6.025 | 861.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human adenovirus 5 | IC50 | = | 255.0 | nM | 6.59 | Antiviral activity against AdV5 infected in A549 cells assessed as reduction in ... | 37390509 |
| Vaccinia virus | IC50 | = | 861.0 | nM | 6.07 | Antiviral activity against VACV infected in Vero cells assessed as reduction in ... | 37390509 |
| Vaccinia virus | IC50 | = | 1050.0 | nM | 5.98 | Antiviral activity against VACV infected in A549 cells assessed as reduction in ... | 37390509 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37390509 | 10.1016/j.ejmech.2023.115601 | ADMET | 4 |
| 37390509 | 10.1016/j.ejmech.2023.115601 | Vaccinia virus | 2 |
| 37390509 | 10.1016/j.ejmech.2023.115601 | A549 | 1 |
| 37390509 | 10.1016/j.ejmech.2023.115601 | Human adenovirus 5 | 1 |
Data from ChEMBL 36 via Core Engine