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Compound Detail

CHEMBL256505

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Cc1oc(-c2ccccc2)nc1CCOc1cccc(C2=C(C(=O)O)CCN(Cc3ccccc3)C2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL256505
Phase Preclinical
Structure Type MOL
InChI Key RYWMZXARDFYYQX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

494.6
MW (Da)
6.02
ALogP
5
HBA
1
HBD
75.8
PSA (Ų)
0.31
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H30N2O4
MW 494.59
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -0.85

Literature References

PubMed DOI Target Context # Activities
18511276 10.1016/j.bmcl.2008.05.014 Peroxisome proliferator-activated receptor alpha 2
18511276 10.1016/j.bmcl.2008.05.014 Peroxisome proliferator-activated receptor gamma 2

Data from ChEMBL 36 via Core Engine