Compound Detail
CHEMBL3794429
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Basic Information
| ChEMBL ID | CHEMBL3794429 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHLHYXFLENSUCD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
5.65
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Influenza A virus CHEMBL613740 | EC50 | 4.54 | 4.54 | 28600.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.33 | 4.33 | 46300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Influenza A virus | EC50 | = | 28600.0 | nM | 4.54 | Antiviral activity against Influenza A virus PR/8/34 infected in MDCK cells asse... | 26924568 |
| Unchecked | EC50 | = | 46300.0 | nM | 4.33 | Inhibition of Influenza A virus RdRp transfected in HEK293T cells at 24 hrs by d... | 26924568 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26924568 | 10.1021/acs.jmedchem.5b01935 | PA/PB1 | 2 |
| 26924568 | 10.1021/acs.jmedchem.5b01935 | Unchecked | 2 |
| 26924568 | 10.1021/acs.jmedchem.5b01935 | ADMET | 1 |
| 26924568 | 10.1021/acs.jmedchem.5b01935 | Influenza A virus | 1 |
| 26924568 | 10.1021/acs.jmedchem.5b01935 | MDCK | 1 |
Data from ChEMBL 36 via Core Engine