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Compound Detail

CHEMBL4076747

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O=C1/C(=C/c2ccc(OC(F)(F)F)cc2)Cc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4076747
Phase Preclinical
Structure Type MOL
InChI Key MFDUQQCWOVVOAZ-UKTHLTGXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

304.3
MW (Da)
4.41
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H11F3O2
MW 304.27
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.53

Literature References

PubMed DOI Target Context # Activities
28384544 10.1016/j.ejmech.2017.03.049 RAW264.7 2
37666364 10.1016/j.bmcl.2023.129467 A549 2
28646757 10.1016/j.ejmech.2017.06.018 HT-29 1
37666364 10.1016/j.bmcl.2023.129467 MCF7 1
37666364 10.1016/j.bmcl.2023.129467 PANC-1 1

Data from ChEMBL 36 via Core Engine