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Compound Detail

CHEMBL4436243

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COc1ncccc1-c1ccc2ncc3ccc(=O)n(-c4cccc(C(F)(F)F)c4)c3c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4436243
Phase Preclinical
Structure Type MOL
InChI Key UCFQEJYUMVDPBV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

447.4
MW (Da)
5.63
ALogP
5
HBA
0
HBD
57.0
PSA (Ų)
0.34
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H16F3N3O2
MW 447.42
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -1.17

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