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Compound Detail

CHEMBL247918

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CC(C)(Oc1ccc(CN(CCOc2ccccc2)c2nc3ccccc3o2)cc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL247918
Phase Preclinical
Structure Type MOL
InChI Key WBRSVVBTVOUCHG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

446.5
MW (Da)
5.16
ALogP
6
HBA
1
HBD
85.0
PSA (Ų)
0.36
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 C26H26N2O5
MW 446.50
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.80

Literature References

PubMed DOI Target Context # Activities
17553678 10.1016/j.bmcl.2007.05.066 Peroxisome proliferator-activated receptor alpha 1
17553678 10.1016/j.bmcl.2007.05.066 Peroxisome proliferator-activated receptor gamma 1
17553678 10.1016/j.bmcl.2007.05.066 Peroxisome proliferator-activated receptor delta 1

Data from ChEMBL 36 via Core Engine