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Compound Detail

CHEMBL4548073

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N#C/C=C/c1ccc2ncc3oc(=O)n(-c4cccc(C(F)(F)F)c4)c3c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4548073
Phase Preclinical
Structure Type MOL
InChI Key SVBCFEOXIVKCIH-NSCUHMNNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

381.3
MW (Da)
4.69
ALogP
5
HBA
0
HBD
71.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H10F3N3O2
MW 381.31
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.06

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