Compound Detail
CHEMBL4542009
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Basic Information
| ChEMBL ID | CHEMBL4542009 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TVKWRLSBRIRPDH-MOHJPFBDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
396.5
MW (Da)
3.94
ALogP
5
HBA
0
HBD
67.3
PSA (Ų)
0.33
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enterovirus A71 CHEMBL612436 | EC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enterovirus A71 | EC50 | = | 1.0 | nM | 9.0 | Antiviral activity against Enterovirus A71 | 31226653 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31226653 | 10.1016/j.ejmech.2019.06.008 | Enterovirus A71 | 1 |
Data from ChEMBL 36 via Core Engine