Compound Detail
CHEMBL3325948
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Basic Information
| ChEMBL ID | CHEMBL3325948 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXWSQUYCOXWGFG-WMLDXEAASA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
4.63
ALogP
3
HBA
0
HBD
21.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vaccinia virus CHEMBL613493 | EC50 | 4.64 | 4.64 | 23000.0 | 1 |
| Yellow fever virus CHEMBL613731 | EC50 | 4.57 | 4.57 | 27000.0 | 1 |
| Coxsackievirus B5 CHEMBL613555 | EC50 | 4.33 | 4.33 | 47000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vaccinia virus | EC50 | = | 23000.0 | nM | 4.64 | Antiviral activity against Vaccinia Virus infected in african green monkey Vero ... | 25082514 |
| Yellow fever virus | EC50 | = | 27000.0 | nM | 4.57 | Antiviral activity against Yellow fever virus infected in BHK21 cells assessed a... | 25082514 |
| Coxsackievirus B5 | EC50 | = | 47000.0 | nM | 4.33 | Antiviral activity against Coxsackievirus B5 infected in african green monkey Ve... | 25082514 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25082514 | 10.1016/j.bmc.2014.06.043 | ADMET | 2 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | MT4 | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | Human immunodeficiency virus 1 | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | Bovine viral diarrhea virus 1 | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | NON-PROTEIN TARGET | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | Yellow fever virus | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | Reovirus sp. | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | Coxsackievirus B5 | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | Poliovirus 1 | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | Respiratory syncytial virus | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | Vesicular stomatitis virus | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | Vaccinia virus | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | Human alphaherpesvirus 1 | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine