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Compound Detail

CHEMBL5430565

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O=C1/C(=C/c2ccccc2C(F)(F)F)CNC/C1=C\c1ccccc1C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5430565
Phase Preclinical
Structure Type MOL
InChI Key DRIZIQGXKCGOFW-KAVGSWPWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

411.4
MW (Da)
5.36
ALogP
2
HBA
1
HBD
29.1
PSA (Ų)
0.53
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H15F6NO
MW 411.35
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.45

Literature References

PubMed DOI Target Context # Activities
36758308 10.1016/j.ejmech.2023.115191 NCI-H460 2
36758308 10.1016/j.ejmech.2023.115191 A549 1
36758308 10.1016/j.ejmech.2023.115191 HepG2 1
36758308 10.1016/j.ejmech.2023.115191 HT-1080 1
36758308 10.1016/j.ejmech.2023.115191 MRC5 1

Data from ChEMBL 36 via Core Engine