Compound Detail
CHEMBL4207632
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Basic Information
| ChEMBL ID | CHEMBL4207632 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRJXEVBTQSGTJS-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
4.68
ALogP
6
HBA
3
HBD
91.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.48
EC50 2 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Influenza A virus CHEMBL613740 | EC50 | 6.75 | 6.685 | 180.0 | 2 |
| RNA-directed RNA polymerase CHEMBL4523676 | IC50 | 6.48 | 6.48 | 330.0 | 1 |
| PA/PB1 CHEMBL3137263 | IC50 | 4.16 | 4.16 | 69000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.09 | 4.09 | 81000.0 | 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 (H1N1) infected in MDCK c... | 28666191 |
| Influenza A virus | EC50 | = | 240.0 | nM | 6.62 | Antiviral activity against Influenza A virus Puerto Rico/8/1934 (H1N1) infected ... | 39153334 |
| RNA-directed RNA polymerase | IC50 | = | 330.0 | nM | 6.48 | Inhibition of Influenza A virus RdRp transfected in HEK293T cells co-expressing ... | 39153334 |
| PA/PB1 | IC50 | = | 69000.0 | nM | 4.16 | Inhibition of Influenza A virus 6His-tagged PA (239 to 716 residues)/GST-tagged ... | 28666191 |
| Unchecked | IC50 | = | 81000.0 | nM | 4.09 | Inhibition of heterodimerization of 6His-tagged Influenza virus PA (239 to 716 r... | 39153334 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28666191 | 10.1016/j.ejmech.2017.06.015 | Influenza A virus | 1 |
| 28666191 | 10.1016/j.ejmech.2017.06.015 | PA/PB1 | 1 |
| 28666191 | 10.1016/j.ejmech.2017.06.015 | MDCK | 1 |
| 28666191 | 10.1016/j.ejmech.2017.06.015 | ADMET | 1 |
| 39153334 | 10.1016/j.ejmech.2024.116737 | Unchecked | 1 |
| 39153334 | 10.1016/j.ejmech.2024.116737 | Influenza A virus | 1 |
| 39153334 | 10.1016/j.ejmech.2024.116737 | RNA-directed RNA polymerase | 1 |
| 39153334 | 10.1016/j.ejmech.2024.116737 | MDCK | 1 |
| 39153334 | 10.1016/j.ejmech.2024.116737 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine