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Compound Detail

CHEMBL1828830

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O=C(O)CCCCOc1ccc(Oc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1828830
Phase Preclinical
Structure Type MOL
InChI Key HEGLZGRVZIXUEB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

286.3
MW (Da)
4.11
ALogP
3
HBA
1
HBD
55.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18O4
MW 286.33
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.26

Literature References

PubMed DOI Target Context # Activities
21889235 10.1016/j.ejmech.2011.08.022 Peroxisome proliferator-activated receptor alpha 2
21889235 10.1016/j.ejmech.2011.08.022 Unchecked 1

Data from ChEMBL 36 via Core Engine