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Compound Detail

CHEMBL358298

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O=C(O)[C@H](Cc1ccc(OCc2ccccc2)cc1)Nc1ccccc1Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL358298
Phase Preclinical
Structure Type MOL
InChI Key RIXBXFGNPMGJKG-NDEPHWFRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

437.5
MW (Da)
5.96
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.32
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H27NO3
MW 437.54
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.37

Literature References

PubMed DOI Target Context # Activities
9836620 10.1021/jm9804127 Peroxisome proliferator-activated receptor gamma 2

Data from ChEMBL 36 via Core Engine