Compound Detail
CHEMBL4097829
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Basic Information
| ChEMBL ID | CHEMBL4097829 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMNONMRIYDITEG-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
5.08
ALogP
5
HBA
0
HBD
51.0
PSA (Ų)
0.48
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enterovirus A71 CHEMBL612436 | EC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Coxsackievirus B3 CHEMBL613554 | EC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Poliovirus 1 CHEMBL613556 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Poliovirus 3 CHEMBL613557 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enterovirus A71 | EC50 | = | 1300.0 | nM | 5.89 | Antiviral activity against Enterovirus A71 infected in monkey LLC-MK2 cells asse... | 29346733 |
| Coxsackievirus B3 | EC50 | = | 1900.0 | nM | 5.72 | Antiviral activity against Coxsackievirus B3 infected in human HeLa-RW cells ass... | 29346733 |
| Poliovirus 1 | EC50 | = | 10000.0 | nM | 5.0 | Antiviral activity against Poliovirus 1 infected in human HeLa-RW cells assessed... | 29346733 |
| Poliovirus 3 | EC50 | = | 10000.0 | nM | 5.0 | Antiviral activity against Poliovirus 3 infected in human HeLa-RW cells assessed... | 29346733 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29346733 | 10.1021/acs.jmedchem.7b01863 | Unchecked | 5 |
| 29346733 | 10.1021/acs.jmedchem.7b01863 | Enterovirus A71 | 1 |
| 29346733 | 10.1021/acs.jmedchem.7b01863 | Coxsackievirus B3 | 1 |
| 29346733 | 10.1021/acs.jmedchem.7b01863 | Poliovirus 1 | 1 |
| 29346733 | 10.1021/acs.jmedchem.7b01863 | Poliovirus 3 | 1 |
| 29346733 | 10.1021/acs.jmedchem.7b01863 | LLC-MK2 | 1 |
Data from ChEMBL 36 via Core Engine