Compound Detail
CHEMBL3327377
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Basic Information
| ChEMBL ID | CHEMBL3327377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFHCXDJMWPEVPE-GHTZIAJQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
345.5
MW (Da)
4.83
ALogP
3
HBA
0
HBD
21.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coxsackievirus B5 CHEMBL613555 | EC50 | 4.31 | 4.31 | 49000.0 | 1 |
| Bovine viral diarrhea virus 1 CHEMBL612571 | EC50 | 4.05 | 4.05 | 89000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coxsackievirus B5 | EC50 | = | 49000.0 | nM | 4.31 | Antiviral activity against Coxsackievirus B5 infected in african green monkey Ve... | 25082514 |
| Bovine viral diarrhea virus 1 | EC50 | = | 89000.0 | nM | 4.05 | Antiviral activity against Bovine viral diarrhea virus infected in MDBK cells as... | 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