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Compound Detail

CHEMBL5591421

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COc1ccc(/C=C/C(=O)Nn2ccc(=O)c(O)c2C)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5591421
Phase Preclinical
Structure Type MOL
InChI Key FLSAIRAAXJCHMB-GQCTYLIASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

318.3
MW (Da)
1.79
ALogP
5
HBA
2
HBD
80.6
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15FN2O4
MW 318.30
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.76

Literature References

PubMed DOI Target Context # Activities
37976709 10.1016/j.ejmech.2023.115945 No relevant target 3

Data from ChEMBL 36 via Core Engine