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Compound Detail

CHEMBL213410

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COC(=O)COc1ccc(OCCCOc2cccc(O)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL213410
Phase Preclinical
Structure Type MOL
InChI Key BYKXOOKEANGALY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
2.79
ALogP
6
HBA
1
HBD
74.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20O6
MW 332.35
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.32

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