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Compound Detail

CHEMBL342512

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COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)Nc1ccccc1C(=O)OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL342512
Phase Preclinical
Structure Type MOL
InChI Key JYPMGYWHDQWXJJ-LJAQVGFWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

495.6
MW (Da)
5.82
ALogP
6
HBA
1
HBD
73.9
PSA (Ų)
0.26
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H29NO5
MW 495.58
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -0.41

Literature References

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

Data from ChEMBL 36 via Core Engine