Compound Detail
CHEMBL5631611
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Basic Information
| ChEMBL ID | CHEMBL5631611 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFESLSOTFVQIME-BDQAORGHSA-N |
| Parent Compound | CHEMBL6068745 |
| Active Moiety | CHEMBL6068745 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
539.7
MW (Da)
4.66
ALogP
10
HBA
3
HBD
136.9
PSA (Ų)
0.11
QED
1
Ro5 Violations
22
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vaccinia virus CHEMBL613493 | IC50 | 4.31 | 4.31 | 49340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vaccinia virus | IC50 | = | 49340.0 | nM | 4.31 | Antiviral activity against VACV infected in Vero cells assessed as reduction in ... | 37390509 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37390509 | 10.1016/j.ejmech.2023.115601 | ADMET | 3 |
| 37390509 | 10.1016/j.ejmech.2023.115601 | Vaccinia virus | 2 |
| 37390509 | 10.1016/j.ejmech.2023.115601 | A549 | 1 |
Data from ChEMBL 36 via Core Engine