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Compound Detail

CHEMBL5171949

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O=C(NC(CSCc1ccc(C(=O)c2ccccc2)cc1)C(=O)O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5171949
Phase Preclinical
Structure Type MOL
InChI Key WTSGCHXDBGXXPT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

419.5
MW (Da)
4.03
ALogP
4
HBA
2
HBD
83.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21NO4S
MW 419.50
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.47

Literature References

PubMed DOI Target Context # Activities
35325635 10.1016/j.ejmech.2022.114240 Peroxisome proliferator-activated receptor gamma 3
35325635 10.1016/j.ejmech.2022.114240 Peroxisome proliferator-activated receptor alpha 2
35325635 10.1016/j.ejmech.2022.114240 Peroxisome proliferator-activated receptor delta 1

Data from ChEMBL 36 via Core Engine