Compound Detail
CHEMBL2435802
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Basic Information
| ChEMBL ID | CHEMBL2435802 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUEHXTTUVXEEQJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
5.69
ALogP
5
HBA
1
HBD
47.3
PSA (Ų)
0.48
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coxsackievirus B6 CHEMBL612778 | IC50 | 6.12 | 6.12 | 750.0 | 1 |
| Hepatitis C virus CHEMBL379 | IC50 | 6.04 | 6.04 | 920.0 | 1 |
| Coxsackievirus B3 CHEMBL613554 | IC50 | 5.65 | 5.65 | 2260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coxsackievirus B6 | IC50 | = | 750.0 | nM | 6.12 | Antiviral activity against Coxsackie B6 virus Schmitt in african green monkey Ve... | 23999140 |
| Hepatitis C virus | IC50 | = | 920.0 | nM | 6.04 | Antiviral activity against HCV expressing pFL-J6/JFH/JC1 infected in human Huh7.... | 23999140 |
| Coxsackievirus B3 | IC50 | = | 2260.0 | nM | 5.65 | Antiviral activity against Coxsackie B3 virus Nancy in african green monkey Vero... | 23999140 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23999140 | 10.1016/j.ejmech.2013.07.053 | Unchecked | 3 |
| 23999140 | 10.1016/j.ejmech.2013.07.053 | Coxsackievirus B6 | 1 |
| 23999140 | 10.1016/j.ejmech.2013.07.053 | Coxsackievirus B3 | 1 |
| 23999140 | 10.1016/j.ejmech.2013.07.053 | Vero | 1 |
| 23999140 | 10.1016/j.ejmech.2013.07.053 | Hepatitis C virus | 1 |
| 23999140 | 10.1016/j.ejmech.2013.07.053 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine