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Compound Detail

CHEMBL4577216

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CC(=O)/C=C/c1cnc2ccc(-c3cnc4ccccc4c3)cc2c1Nc1cccc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4577216
Phase Preclinical
Structure Type MOL
InChI Key NUCRMPNQHMKSGJ-MDZDMXLPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

483.5
MW (Da)
7.81
ALogP
4
HBA
1
HBD
54.9
PSA (Ų)
0.26
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H20F3N3O
MW 483.49
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -0.78

Literature References

PubMed DOI Target Context # Activities
31082764 10.1016/j.ejmech.2019.04.048 Enterovirus A71 1
31082764 10.1016/j.ejmech.2019.04.048 RD 1

Data from ChEMBL 36 via Core Engine