Compound Detail
CHEMBL4095351
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4095351 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBXQJUDGXUEWEG-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
4.39
ALogP
6
HBA
1
HBD
72.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| enterovirus D68 CHEMBL613204 | EC50 | 7.0 | 6.85 | 100.0 | 2 |
| Enterovirus A71 CHEMBL612436 | EC50 | 6.3 | 6.3 | 500.0 | 1 |
| Coxsackievirus B3 CHEMBL613554 | EC50 | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| enterovirus D68 | EC50 | = | 100.0 | nM | 7.0 | Anti-viral activity against Enterovirus D68 US/MO/14-18947 infected in human RD ... | 34085827 |
| enterovirus D68 | EC50 | = | 200.0 | nM | 6.7 | Anti-viral activity against Enterovirus D68 US/KY/14-18953 infected in human RD ... | 34085827 |
| Enterovirus A71 | EC50 | = | 500.0 | nM | 6.3 | Antiviral activity against Enterovirus A71 infected in monkey LLC-MK2 cells asse... | 29346733 |
| Coxsackievirus B3 | EC50 | = | 800.0 | nM | 6.1 | Antiviral activity against Coxsackievirus B3 infected in human HeLa-RW cells ass... | 29346733 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29346733 | 10.1021/acs.jmedchem.7b01863 | Unchecked | 3 |
| 34085827 | 10.1021/acs.jmedchem.1c00758 | enterovirus D68 | 2 |
| 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 |
| 34085827 | 10.1021/acs.jmedchem.1c00758 | Unchecked | 1 |
| 34085827 | 10.1021/acs.jmedchem.1c00758 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine