Compound Detail
CHEMBL46646
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Basic Information
| ChEMBL ID | CHEMBL46646 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNMASAFFZKWPGI-UHFFFAOYSA-N |
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
404.3
MW (Da)
4.34
ALogP
3
HBA
0
HBD
45.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enterovirus A71 CHEMBL612436 | IC50 | 6.52 | 6.465 | 300.0 | 4 |
| Coxsackievirus A24 CHEMBL612777 | IC50 | 6.33 | 6.33 | 470.0 | 1 |
| Coxsackievirus A9 CHEMBL615086 | IC50 | 6.33 | 6.33 | 470.0 | 1 |
| enterovirus D68 CHEMBL613204 | IC50 | 5.67 | 5.67 | 2130.0 | 1 |
| Echovirus E9 CHEMBL613552 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enterovirus A71 | IC50 | = | 300.0 | nM | 6.52 | Antiviral activity against Enterovirus A71 genotype C | 31226653 |
| Enterovirus A71 | IC50 | = | 300.0 | nM | 6.52 | Antiviral activity against Enterovirus A71 genotype B | 31226653 |
| Enterovirus A71 | IC50 | = | 300.0 | nM | 6.52 | Antiviral activity against Enterovirus A71 genotype A | 31226653 |
| Coxsackievirus A24 | IC50 | = | 470.0 | nM | 6.33 | Antiviral activity against Coxsackievirus A24 | 31226653 |
| Coxsackievirus A9 | IC50 | = | 470.0 | nM | 6.33 | Antiviral activity against Coxsackievirus A9 | 31226653 |
| Enterovirus A71 | IC50 | = | 500.0 | nM | 6.3 | Inhibition concentration against EV-71 | 11931618 |
| enterovirus D68 | IC50 | = | 2130.0 | nM | 5.67 | Antiviral activity against Enterovirus D68 | 31226653 |
| Echovirus E9 | IC50 | = | 2600.0 | nM | 5.58 | Antiviral activity against Echovirus 9 | 31226653 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11931618 | 10.1021/jm010536a | Unchecked | 3 |
| 31226653 | 10.1016/j.ejmech.2019.06.008 | Enterovirus A71 | 3 |
| 11931618 | 10.1021/jm010536a | ADMET | 2 |
| 11931618 | 10.1021/jm010536a | Enterovirus A71 | 1 |
| 11931618 | 10.1021/jm010536a | NON-PROTEIN TARGET | 1 |
| 31226653 | 10.1016/j.ejmech.2019.06.008 | enterovirus D68 | 1 |
| 31226653 | 10.1016/j.ejmech.2019.06.008 | Echovirus E9 | 1 |
| 31226653 | 10.1016/j.ejmech.2019.06.008 | Coxsackievirus A24 | 1 |
| 31226653 | 10.1016/j.ejmech.2019.06.008 | Coxsackievirus A9 | 1 |
Data from ChEMBL 36 via Core Engine