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Compound Detail

CHEMBL213411

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CC(=O)c1ccc(OCCCOc2ccc(OCC(=O)O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL213411
Phase Preclinical
Structure Type MOL
InChI Key PNPIFPAWSPWJBV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

344.4
MW (Da)
3.20
ALogP
5
HBA
1
HBD
82.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20O6
MW 344.36
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.44

Literature References

PubMed DOI Target Context # Activities
16797985 10.1016/j.bmcl.2006.06.028 Peroxisome proliferator-activated receptor delta 1
16797985 10.1016/j.bmcl.2006.06.028 Peroxisome proliferator-activated receptor alpha 1
16797985 10.1016/j.bmcl.2006.06.028 Peroxisome proliferator-activated receptor gamma 1

Data from ChEMBL 36 via Core Engine