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Compound Detail

CHEMBL2178290

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CCc1cc(O)c(Oc2ccc[nH]c2=O)cc1F

Basic Information

ChEMBL ID CHEMBL2178290
Phase Preclinical
Structure Type MOL
InChI Key YILZDHBLJQLFBO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

249.2
MW (Da)
2.57
ALogP
3
HBA
2
HBD
62.3
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H12FNO3
MW 249.24
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.23

Literature References

PubMed DOI Target Context # Activities
23092194 10.1021/jm301113w Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI 1
23092194 10.1021/jm301113w Streptococcus pneumoniae 1
23092194 10.1021/jm301113w Enterococcus faecalis 1
23092194 10.1021/jm301113w Escherichia coli 1
23092194 10.1021/jm301113w Staphylococcus aureus 1

Data from ChEMBL 36 via Core Engine