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Compound Detail

CHEMBL5171340

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CC(C)(C)OC(=O)N[C@H](CSCc1ccc(C(=O)c2ccccc2)cc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5171340
Phase Preclinical
Structure Type MOL
InChI Key JEFUTBWRCLLDDI-GOSISDBHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

415.5
MW (Da)
4.13
ALogP
5
HBA
2
HBD
92.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25NO5S
MW 415.51
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.55

Literature References

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

Data from ChEMBL 36 via Core Engine