Compound Detail
CHEMBL5429284
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CSC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(S(F)(F)(F)(F)F)c4)ncnc32)[C@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL5429284 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RZYXQGJCSMYMNO-SCFUHWHPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
513.5
MW (Da)
4.08
ALogP
9
HBA
3
HBD
105.3
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enterovirus A71 CHEMBL612436 | EC50 | 5.73 | 5.73 | 1850.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enterovirus A71 | EC50 | = | 1850.0 | nM | 5.73 | Antiviral activity against human Enterovirus 71 BrCr infected in human RD cells ... | 36455356 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36455356 | 10.1016/j.ejmech.2022.114942 | Enterovirus A71 | 1 |
| 36455356 | 10.1016/j.ejmech.2022.114942 | RD | 1 |
| 36455356 | 10.1016/j.ejmech.2022.114942 | ADMET | 1 |
| 36455356 | 10.1016/j.ejmech.2022.114942 | SARS-CoV-2 | 1 |
| 36455356 | 10.1016/j.ejmech.2022.114942 | Zika virus | 1 |
| 36455356 | 10.1016/j.ejmech.2022.114942 | Vero C1008 | 1 |
| 36455356 | 10.1016/j.ejmech.2022.114942 | METTL3/METTL14 | 1 |
Data from ChEMBL 36 via Core Engine