Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR2051)
Drug Name
Glutathione ester
Synonyms
Glutathione S-methyl ester; S-Methylglutathione; OOW3025SR1; QTQDDTSVRVWHMO-BQBZGAKWSA-N; S-METHYL-GLUTATHIONE; S-Methyl GSH; S-Methyl glutathione; SCHEMBL1767370; ZINC1532230; 2922-56-7; AC1L3GTT; BDBM225232; C11347; CHEBI:141472; CHEMBL1233129; CTK4G2973; DB04701; DTXSID10183479; GSM; Glycine, L-g-glutamyl-S-methyl-L-cysteinyl-; Glycine, N-(N-L-gamma-glutamyl-S-methyl-L-cysteinyl)-; L-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINE; L-gamma-Glutamyl-S-methyl-L-cysteinylglycine; UNII-OOW3025SR1
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 321.35 Topological Polar Surface Area 184
Heavy Atom Count 21 Rotatable Bond Count 10
Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
115260
ChEBI ID
CHEBI:141472
CAS Number
2922-56-7
Formula
C11H19N3O6S
Canonical SMILES
CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N
InChI
1S/C11H19N3O6S/c1-21-5-7(10(18)13-4-9(16)17)14-8(15)3-2-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1
InChIKey
QTQDDTSVRVWHMO-BQBZGAKWSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Iodomethane DM006513
6328
Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007010 Glutathione ester Iodomethane Unclear GGT1 ... [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Gamma-glutamyltranspeptidase 1 (GGT1) DME0498 Homo sapiens
GGT1_HUMAN
3.4.19.13
[2]
Gamma-glutamyltranspeptidase 5 (GGT5) DME0432 Homo sapiens
GGT5_HUMAN
3.4.19.13
[2]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Gamma-glutamyltranspeptidase 1 (GGT1) DME0498 Km = 0.0099 microM
GGT1_HUMAN
[2]
Gamma-glutamyltranspeptidase 5 (GGT5) DME0432 Km = 0.0182 microM
GGT5_HUMAN
[2]
References
1 DrugBank 5.0: a major update to the DrugBank database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D1074-D1082. (id: DB04701)
2 Gamma-glutamyl compounds: substrate specificity of gamma-glutamyl transpeptidase enzymes. Anal Biochem. 2011 Jul 15;414(2):208-14.

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