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Compound Detail

CHEMBL5281314

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O=C(/C=C/c1ccc(ON=C(c2ccccc2)c2ccccc2)cc1)c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5281314
Phase Preclinical
Structure Type MOL
InChI Key PRBURSNPNWRCRI-DEDYPNTBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

421.5
MW (Da)
6.55
ALogP
3
HBA
0
HBD
38.7
PSA (Ų)
0.15
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H20FNO2
MW 421.47
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.43

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