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Compound Detail

CHEMBL376050

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Cc1nc(-c2ccc(O)cc2)sc1C(=O)NCc1ccc(OC(C)(C)C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL376050
Phase Preclinical
Structure Type MOL
InChI Key CAFOFLPFZNXQRW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

426.5
MW (Da)
4.00
ALogP
6
HBA
3
HBD
108.8
PSA (Ų)
0.53
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 C22H22N2O5S
MW 426.49
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.21

Literature References

PubMed DOI Target Context # Activities
17243659 10.1021/jm058056x Peroxisome proliferator-activated receptor delta 1
17243659 10.1021/jm058056x Peroxisome proliferator-activated receptor gamma 1
17243659 10.1021/jm058056x Peroxisome proliferator-activated receptor alpha 1

Data from ChEMBL 36 via Core Engine