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Compound Detail

CHEMBL4559116

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O=c1oc2cnc3ccc(-c4cnc5ccccc5c4)cc3c2n1-c1cccc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4559116
Phase Preclinical
Structure Type MOL
InChI Key OUITYFMWWXMVNE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

457.4
MW (Da)
6.37
ALogP
5
HBA
0
HBD
60.9
PSA (Ų)
0.30
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H14F3N3O2
MW 457.41
Aromatic Rings 6
Heavy Atoms 34
NP-Likeness -1.18

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