Compound Detail
CHEMBL3325825
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FC(F)(F)c1ccc2c(c1)nc(Cc1ccc(Cl)cc1)n2C[C@@H]1CCCN2CCCC[C@H]12
Basic Information
| ChEMBL ID | CHEMBL3325825 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IZLWCYZKYDWQIK-PGRDOPGGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
462.0
MW (Da)
6.56
ALogP
3
HBA
0
HBD
21.1
PSA (Ų)
0.44
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coxsackievirus B5 CHEMBL613555 | EC50 | 4.89 | 4.89 | 13000.0 | 1 |
| Respiratory syncytial virus CHEMBL612679 | EC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coxsackievirus B5 | EC50 | = | 13000.0 | nM | 4.89 | Antiviral activity against Coxsackievirus B5 infected in african green monkey Ve... | 25082514 |
| Respiratory syncytial virus | EC50 | = | 15000.0 | nM | 4.82 | Antiviral activity against Respiratory syncytial virus infected in african green... | 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 | Unchecked | 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 |
Data from ChEMBL 36 via Core Engine