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Compound Detail

CHEMBL4789714

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CCOC(=O)c1cc(CCCOc2ccc(-c3noc(C(F)(F)F)n3)cc2NC(C)=O)on1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4789714
Phase Preclinical
Structure Type MOL
InChI Key SQKJXOQUUIKFGL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

468.4
MW (Da)
3.89
ALogP
9
HBA
1
HBD
129.6
PSA (Ų)
0.37
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19F3N4O6
MW 468.39
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.59

Literature References

PubMed DOI Target Context # Activities
31881489 10.1016/j.ejmech.2019.112007 Coxsackievirus B3 5
31881489 10.1016/j.ejmech.2019.112007 HeLa 1
31881489 10.1016/j.ejmech.2019.112007 rhinovirus A2 1
31881489 10.1016/j.ejmech.2019.112007 rhinovirus B5 1
31881489 10.1016/j.ejmech.2019.112007 rhinovirus B14 1

Data from ChEMBL 36 via Core Engine