OXIGLUTATIONE

Search structure
Synonyms:
Status: Approved (2008)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: ULW86O013H

Structure
InChI Key YPZRWBKMTBYPTK-BJDJZHNGSA-N
Smile N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O
InChI
InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/t9-,10-,11-,12-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H32N6O12S2
Molecular Weight 612.64
AlogP -3.88
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 10.0
Number of Rotational Bond 21.0
Polar Surface Area 317.64
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 40.0

Pharmacology

Action Mechanism of Action Reference
OTHER Glutathione reductase DailyMed Wikipedia Wikipedia

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Non-Small-Cell Lung 3 D002289 ClinicalTrials
Myelodysplastic Syndromes 2 D009190 ClinicalTrials
Leukemia 2 D007938 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials

Cross References

Resources Reference
ChEBI 17858
ChEMBL CHEMBL1372
DrugBank DB03310
DrugCentral 5130
EPA CompTox DTXSID5048972
FDA SRS ULW86O013H
Guide to Pharmacology 6835
KEGG C00127
PDB GDS
PubChem 65359
SureChEMBL SCHEMBL138746
ZINC ZINC000003870129
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