Compound Detail
CHEMBL4847241
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COc1ccc(C(OC[C@H]2O[C@@H](n3cc4c(nc3=O)Nc3ccccc3O4)[C@H](OC)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL4847241 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FVXSVHAJMPYFSX-DYICDNQCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
649.7
MW (Da)
5.39
ALogP
11
HBA
2
HBD
122.5
PSA (Ų)
0.19
QED
3
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SARS-CoV-2 CHEMBL4303835 | EC50 | 4.91 | 4.91 | 12400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SARS-CoV-2 | EC50 | = | 12400.0 | nM | 4.91 | Antiviral activity against SARS COV-2 infected in monkey vero cells assessed as ... | 33894564 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33894564 | 10.1016/j.ejmech.2021.113467 | Vero | 1 |
| 33894564 | 10.1016/j.ejmech.2021.113467 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine