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Compound Detail

CHEMBL5285237

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O=C(/C=C/c1ccc(ON=C2CCCCC2)cc1)c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5285237
Phase Preclinical
Structure Type MOL
InChI Key RMCJZCMIKHIOFL-OVCLIPMQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

337.4
MW (Da)
5.42
ALogP
3
HBA
0
HBD
38.7
PSA (Ų)
0.41
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20FNO2
MW 337.39
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.55

Literature References

PubMed DOI Target Context # Activities
32920430 10.1016/j.ejmech.2020.112650 Amine oxidase [flavin-containing] B 1

Data from ChEMBL 36 via Core Engine