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Compound Detail

CHEMBL3110331

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CCOC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3110331
Phase Preclinical
Structure Type MOL
InChI Key ISJJTDAMKHRHHP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
3.80
ALogP
4
HBA
1
HBD
55.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16FNO3S
MW 333.38
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -2.36

Literature References

PubMed DOI Target Context # Activities
24313730 10.1021/jm401560v MDCK 1
24313730 10.1021/jm401560v PA/PB1 1
24313730 10.1021/jm401560v Influenza A virus 1
24313730 10.1021/jm401560v HEK293 1

Data from ChEMBL 36 via Core Engine