EZATIOSTAT HYDROCHLORIDE

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Synonyms
Status
Molecule Category Salt-form
UNII D59N834676
EPA CompTox DTXSID00182855

Structure

InChI Key XJDYQYNYISTAMO-GFDYFVENSA-N
Smiles CCOC(=O)[C@@H](N)CCC(=O)N[C@@H](CSCc1ccccc1)C(=O)N[C@@H](C(=O)OCC)c1ccccc1.Cl
InChI
InChI=1S/C27H35N3O6S.ClH/c1-3-35-26(33)21(28)15-16-23(31)29-22(18-37-17-19-11-7-5-8-12-19)25(32)30-24(27(34)36-4-2)20-13-9-6-10-14-20;/h5-14,21-22,24H,3-4,15-18,28H2,1-2H3,(H,29,31)(H,30,32);1H/t21-,22-,24+;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H36ClN3O6S
Molecular Weight 566.12
AlogP 2.5
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 15.0
Polar Surface Area 136.82
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 37.0

Pharmacology

Mechanism of Action Action Reference
Glutathione S-transferase Pi inhibitor INHIBITOR PubMed

Target Conservation

Protein: Glutathione S-transferase Pi
Description: Glutathione S-transferase P
Organism : Homo sapiens
P09211 ENSG00000084207

Cross References

Resources Reference
ChEMBL CHEMBL2103810
FDA SRS D59N834676
PubChem 25063260
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