Compound Detail
CHEMBL503114
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CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc4c(c3)N(O)C(=O)/C4=C(\O)c3ccccc3)cc2)s1
Basic Information
| ChEMBL ID | CHEMBL503114 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYXNYOYSNYZAHK-VHXPQNKSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
605.6
MW (Da)
4.63
ALogP
9
HBA
5
HBD
178.0
PSA (Ų)
0.12
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| unidentified influenza virus CHEMBL613128 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| unidentified influenza virus | IC50 | = | 32000.0 | nM | 4.5 | 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