Compound Detail
CHEMBL5413981
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C[C@H](NP(=O)(OC[C@H]1O[C@@H](n2ccc3c(NCc4cccc(C(F)(F)F)c4)ncnc32)[C@H](O)[C@@H]1O)Oc1ccccc1)C(=O)OCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL5413981 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USIXPRJZLJAXRP-DSFKGBIPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
741.7
MW (Da)
5.61
ALogP
12
HBA
4
HBD
166.3
PSA (Ų)
0.08
QED
3
Ro5 Violations
14
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enterovirus A71 CHEMBL612436 | EC50 | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enterovirus A71 | EC50 | = | 600.0 | nM | 6.22 | 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 |
Data from ChEMBL 36 via Core Engine