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Compound Detail

CHEMBL1092388

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COC1Oc2cc(O)c3c(c2C(=O)N1C(=O)NCc1ccc2ccccc2c1)OC1=CC(O)=C(C(C)=O)C(=O)[C@]13C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1092388
Phase Preclinical
Structure Type MOL
InChI Key QYIAKADHLCPZLU-BDCODIICSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

556.5
MW (Da)
3.74
ALogP
9
HBA
3
HBD
151.7
PSA (Ų)
0.41
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H24N2O9
MW 556.53
Aromatic Rings 3
Heavy Atoms 41
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