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Compound Detail

CHEMBL24683

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CCO[C@H](Cc1ccc(OCCN2c3ccccc3Oc3ccccc32)cc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL24683
Phase Preclinical
Structure Type MOL
InChI Key WMUIIGVAWPWQAW-XMMPIXPASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

419.5
MW (Da)
5.04
ALogP
5
HBA
1
HBD
68.2
PSA (Ų)
0.52
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C25H25NO5
MW 419.48
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.40

Literature References

PubMed DOI Target Context # Activities
12672231 10.1021/jm021027r Peroxisome proliferator-activated receptor alpha 1
12672231 10.1021/jm021027r Peroxisome proliferator-activated receptor gamma 1

Data from ChEMBL 36 via Core Engine