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Compound Detail

CHEMBL606417

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Cc1ccc(-c2c(C(=O)c3ccccc3)oc3ccc4c(C)cc(=O)oc4c23)cc1

Basic Information

ChEMBL ID CHEMBL606417
Phase Preclinical
Structure Type MOL
InChI Key MNZCKSNWLSASIG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

394.4
MW (Da)
6.05
ALogP
4
HBA
0
HBD
60.4
PSA (Ų)
0.28
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H18O4
MW 394.43
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -0.10

Activity Summary

IC50 1 meas. best 6.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Influenza A virus
CHEMBL613740
IC50 6.09 6.09 820.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Influenza A virus IC50 = 820.0 nM 6.09 Antiviral activity against human influenza A virus A/WSN/33 (H1N1) in MDCK cells... 20092255

Literature References

PubMed DOI Target Context # Activities
20092255 10.1021/jm901570x Influenza A virus 1
20092255 10.1021/jm901570x MDCK 1

Data from ChEMBL 36 via Core Engine