Compound Detail
CHEMBL461052
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O=C(Nc1ccc2c(c1)N(O)C(=O)/C2=C(\O)c1ccccc1)c1ccc(NC(=O)c2cccs2)cc1
Basic Information
| ChEMBL ID | CHEMBL461052 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJAABEXGTKYKEG-VHXPQNKSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
497.5
MW (Da)
5.41
ALogP
6
HBA
4
HBD
119.0
PSA (Ų)
0.17
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| unidentified influenza virus CHEMBL613128 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| unidentified influenza virus | IC50 | = | 20000.0 | nM | 4.7 | Antiviral activity against influenza virus | 19112024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19112024 | 10.1016/j.bmc.2008.11.075 | unidentified influenza virus | 1 |
Data from ChEMBL 36 via Core Engine