Compound Detail
CHEMBL46424
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Basic Information
| ChEMBL ID | CHEMBL46424 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQQJXQKSHXJKCC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
385.5
MW (Da)
4.68
ALogP
4
HBA
0
HBD
45.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enterovirus A71 CHEMBL612436 | IC50 | 5.3 | 5.3 | 4960.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enterovirus A71 | IC50 | = | 4960.0 | nM | 5.3 | Inhibition concentration against EV-71 | 11931618 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11931618 | 10.1021/jm010536a | Enterovirus A71 | 1 |
| 11931618 | 10.1021/jm010536a | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine