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Compound Detail

CHEMBL328719

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Cc1cc(-c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccc(F)cc4)c3c2F)cc(C)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL328719
Phase Preclinical
Structure Type MOL
InChI Key LKQQCHJZEXEAEG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

424.4
MW (Da)
4.79
ALogP
4
HBA
1
HBD
72.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H15F3N2O3
MW 424.38
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.76

Literature References

PubMed DOI Target Context # Activities
8410993 10.1021/jm00071a010 DNA topoisomerase II 1

Data from ChEMBL 36 via Core Engine