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Compound Detail

CHEMBL3397725

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CCCC/C(=C\c1cc(O)ccc1OCc1ccc(C(F)(F)F)cc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3397725
Phase Preclinical
Structure Type MOL
InChI Key AHPGUVLNKNEVKW-RVDMUPIBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

394.4
MW (Da)
5.65
ALogP
3
HBA
2
HBD
66.8
PSA (Ų)
0.57
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21F3O4
MW 394.39
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.07

Literature References

PubMed DOI Target Context # Activities
25575659 10.1016/j.bmcl.2014.12.073 Presenilin-1 2
25575659 10.1016/j.bmcl.2014.12.073 Polyunsaturated fatty acid 5-lipoxygenase 1
25575659 10.1016/j.bmcl.2014.12.073 Peroxisome proliferator-activated receptor gamma 1

Data from ChEMBL 36 via Core Engine