Compound Detail
CHEMBL3577812
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Basic Information
| ChEMBL ID | CHEMBL3577812 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFEBYWRIZAWKMJ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
3.45
ALogP
5
HBA
2
HBD
71.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.0
IC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PA/PB1 CHEMBL3137263 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
| Influenza A virus CHEMBL613740 | EC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Influenza A virus | EC50 | = | 100000.0 | nM | 4.0 | Antiviral activity against Influenza A virus (A/PR/8/34) (H1N1) infected in MDCK... | 25856229 |
| PA/PB1 | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of Influenza A virus (A/PR/8/34) (H1N1) RNA-dependent-RNA polymerase ... | 25856229 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25856229 | 10.1021/acs.jmedchem.5b00012 | PA/PB1 | 1 |
| 25856229 | 10.1021/acs.jmedchem.5b00012 | Influenza A virus | 1 |
| 25856229 | 10.1021/acs.jmedchem.5b00012 | HEK-293T | 1 |
| 25856229 | 10.1021/acs.jmedchem.5b00012 | MDCK | 1 |
| 25856229 | 10.1021/acs.jmedchem.5b00012 | Liver microsome | 1 |
Data from ChEMBL 36 via Core Engine