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Compound Detail

CHEMBL149609

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O=C(c1ccccc1)c1cccc(N[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL149609
Phase Preclinical
Structure Type MOL
InChI Key WJNQBFIXWQMTNI-MHZLTWQESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

451.5
MW (Da)
5.60
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.31
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 C29H25NO4
MW 451.52
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.53

Literature References

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

Data from ChEMBL 36 via Core Engine