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Compound Detail

CHEMBL1089858

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COc1ccccc1CNC(=O)N1C(=O)c2c(cc(O)c3c2OC2=CC(O)=C(C(C)=O)C(=O)[C@]23C)OC1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1089858
Phase Preclinical
Structure Type MOL
InChI Key ZWXFRBJTKQQNOH-SSYAZFEXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

536.5
MW (Da)
2.59
ALogP
10
HBA
3
HBD
160.9
PSA (Ų)
0.48
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H24N2O10
MW 536.49
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness 0.90

Literature References

PubMed DOI Target Context # Activities
20219371 10.1016/j.bmcl.2010.02.073 Peroxisome proliferator-activated receptor gamma 1

Data from ChEMBL 36 via Core Engine