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Compound Detail

CHEMBL3397554

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CCCCCCCO/N=C/c1ccc(OC(Cc2ccccc2)C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3397554
Phase Preclinical
Structure Type MOL
InChI Key KQIGKWBTIIIJHR-HKOYGPOVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

383.5
MW (Da)
5.08
ALogP
4
HBA
1
HBD
68.1
PSA (Ų)
0.30
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29NO4
MW 383.49
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.23

Literature References

PubMed DOI Target Context # Activities
25497132 10.1016/j.ejmech.2014.11.044 Peroxisome proliferator-activated receptor alpha 2
25497132 10.1016/j.ejmech.2014.11.044 Peroxisome proliferator-activated receptor gamma 1

Data from ChEMBL 36 via Core Engine