Compound Detail
CHEMBL4472225
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O=C(Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1)OCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL4472225 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDBSYXHNSUWYTL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
566.5
MW (Da)
7.37
ALogP
6
HBA
1
HBD
86.1
PSA (Ų)
0.22
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enterovirus A71 CHEMBL612436 | IC50 | 4.62 | 4.62 | 23720.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enterovirus A71 | IC50 | = | 23720.0 | nM | 4.62 | Antiviral activity against Enterovirus A71 infected in human RD cells assessed a... | 31082764 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31082764 | 10.1016/j.ejmech.2019.04.048 | Enterovirus A71 | 1 |
| 31082764 | 10.1016/j.ejmech.2019.04.048 | RD | 1 |
| 31082764 | 10.1016/j.ejmech.2019.04.048 | mTORC1 | 1 |
| 31082764 | 10.1016/j.ejmech.2019.04.048 | mTORC2 | 1 |
Data from ChEMBL 36 via Core Engine