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Compound Detail

CHEMBL146027

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COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)Nc1ccccc1C(=O)Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL146027
Phase Preclinical
Structure Type MOL
InChI Key KUQRSDIAADGLGK-NDEPHWFRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

480.6
MW (Da)
5.71
ALogP
5
HBA
2
HBD
76.7
PSA (Ų)
0.28
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 C30H28N2O4
MW 480.56
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.82

Literature References

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

Data from ChEMBL 36 via Core Engine