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Compound Detail

CHEMBL208755

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Cc1cc(OCc2ccc(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(C(F)(F)F)cc3)n2)ccc1OCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL208755
Phase Preclinical
Structure Type MOL
InChI Key AVCPTPJWFBFSRA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

561.5
MW (Da)
7.80
ALogP
4
HBA
1
HBD
68.7
PSA (Ų)
0.22
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H21F6NO4
MW 561.48
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -0.73

Literature References

PubMed DOI Target Context # Activities
16546385 10.1016/j.bmcl.2006.02.079 Peroxisome proliferator-activated receptor alpha 1
16546385 10.1016/j.bmcl.2006.02.079 Peroxisome proliferator-activated receptor gamma 1
16546385 10.1016/j.bmcl.2006.02.079 Peroxisome proliferator-activated receptor delta 1

Data from ChEMBL 36 via Core Engine