Compound Detail
CHEMBL514561
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O=C(/C=C/c1ccccc1Cl)Nc1ccc(C(=O)Nc2ccc3c(c2)N(O)C(=O)/C3=C(\O)c2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL514561 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TVPNRHMLBMUNLS-QPKSJOODSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
552.0
MW (Da)
6.41
ALogP
5
HBA
4
HBD
119.0
PSA (Ų)
0.13
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| unidentified influenza virus CHEMBL613128 | IC50 | 5.02 | 5.02 | 9500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| unidentified influenza virus | IC50 | = | 9500.0 | nM | 5.02 | 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