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Compound Detail

CHEMBL1760553

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Cc1ccc(C(=O)c2nccn2C/C=C/c2cccc(OCC(=O)O)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1760553
Phase Preclinical
Structure Type MOL
InChI Key LXXMCXSSRNPVRZ-HWKANZROSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

376.4
MW (Da)
3.60
ALogP
5
HBA
1
HBD
81.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20N2O4
MW 376.41
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.87

Literature References

PubMed DOI Target Context # Activities
21377875 10.1016/j.bmcl.2011.02.032 Peroxisome proliferator-activated receptor gamma 1
21377875 10.1016/j.bmcl.2011.02.032 Peroxisome proliferator-activated receptor alpha 1

Data from ChEMBL 36 via Core Engine