Compound Detail
CHEMBL2040640
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O=C(O)/C(O)=C/C(=O)C1(Cc2ccc(Cl)cc2)CCCN(S(=O)(=O)Cc2ccccc2)C1
Basic Information
| ChEMBL ID | CHEMBL2040640 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCMIBEDVUPBTKX-MOSHPQCFSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
478.0
MW (Da)
3.59
ALogP
5
HBA
2
HBD
112.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.72
EC50 1 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Influenza A virus CHEMBL613740 | EC50 | 6.75 | 6.75 | 180.0 | 1 |
| Polymerase acidic protein CHEMBL1169598 | IC50 | 6.72 | 6.72 | 190.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.72 | 6.72 | 190.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Influenza A virus | EC50 | = | 180.0 | nM | 6.75 | Antiviral activity against influenza A virus (A/PR/8/34) infected in MDCK cells ... | 28118010 |
| Polymerase acidic protein | IC50 | = | 190.0 | nM | 6.72 | Inhibition of cap 1 ALMV primed Influenza transcriptase | 7695269 |
| Unchecked | IC50 | = | 190.55 | nM | 6.72 | Inhibition of influenza A virus RNA-dependent RNA polymerase subunit PA endonucl... | 24365156 |
| Polymerase acidic protein | IC50 | = | 190.0 | nM | 6.72 | Inhibition of influenza A virus (A/PR/8/34) PA endonuclease using ALMV cap1 prim... | 28118010 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7695269 | 10.1128/aac.38.12.2827 | Polymerase acidic protein | 1 |
| 24365156 | 10.1016/j.bmcl.2013.12.026 | Unchecked | 1 |
| 28118010 | 10.1021/acs.jmedchem.6b01227 | Influenza A virus | 1 |
| 28118010 | 10.1021/acs.jmedchem.6b01227 | Polymerase acidic protein | 1 |
Data from ChEMBL 36 via Core Engine