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Compound Detail

CHEMBL1081756

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Cc1ccc(-c2csc(COc3ccc(OCC(=O)O)c(C)c3)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1081756
Phase Preclinical
Structure Type MOL
InChI Key NJYSMUMXHUIKGZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

369.4
MW (Da)
4.47
ALogP
5
HBA
1
HBD
68.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19NO4S
MW 369.44
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.50

Literature References

PubMed DOI Target Context # Activities
19928766 10.1021/jm9007399 Peroxisome proliferator-activated receptor alpha 1
19928766 10.1021/jm9007399 Peroxisome proliferator-activated receptor gamma 1
19928766 10.1021/jm9007399 Peroxisome proliferator-activated receptor delta 1

Data from ChEMBL 36 via Core Engine