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Compound Detail

CHEMBL1089802

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COC1Oc2cc(O)c3c(c2C(=O)N1C(=O)NCc1csc2ccccc12)OC1=CC(O)=C(C(C)=O)C(=O)[C@]13C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1089802
Phase Preclinical
Structure Type MOL
InChI Key PZWBNXUUUJALHM-PLYLYKGUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

562.6
MW (Da)
3.80
ALogP
10
HBA
3
HBD
151.7
PSA (Ų)
0.40
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 C28H22N2O9S
MW 562.56
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness 0.59

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