Compound Detail
CHEMBL2040587
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Basic Information
| ChEMBL ID | CHEMBL2040587 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBXVCUKTDOSDRY-MOSHPQCFSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
413.9
MW (Da)
4.26
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.0
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 |
| Influenza A virus CHEMBL613740 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Polymerase acidic protein CHEMBL1169598 | IC50 | 5.96 | 5.92 | 1100.0 | 4 |
| Unchecked CHEMBL612545 | IC50 | 5.96 | 5.96 | 1096.5 | 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 |
| Influenza A virus | IC50 | = | 1000.0 | nM | 6.0 | Antiviral activity against Influenza A virus assessed as inhibition of cap depen... | 22612288 |
| Polymerase acidic protein | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of cap 1 ALMV primed Influenza transcriptase | 8723491 |
| Polymerase acidic protein | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of cap 1 ALMV primed Influenza transcriptase | 7695269 |
| Unchecked | IC50 | = | 1096.48 | nM | 5.96 | Inhibition of influenza A virus RNA-dependent RNA polymerase subunit PA endonucl... | 24365156 |
| Polymerase acidic protein | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of influenza A virus (A/PR/8/34) PA endonuclease using ALMV cap1 prim... | 28118010 |
| Polymerase acidic protein | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of Influenza replication | 8723491 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8723491 | 10.1128/aac.40.5.1304 | Polymerase acidic protein | 2 |
| 7695269 | 10.1128/aac.38.12.2827 | Polymerase acidic protein | 1 |
| 22612288 | 10.1021/jm300455c | Influenza A virus | 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