Details of the Drug

General Information of Drug (ID: DMAV2I7)

• 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
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 321.35
  Logarithm of the Partition Coefficient (xlogp); -4.1
  Rotatable Bond Count (rotbonds); 10
  Hydrogen Bond Donor Count (hbonddonor); 5
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C11H19N3O6S
  IUPAC Name: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-methylsulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
  Canonical SMILES: CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N
  InChI: QTQDDTSVRVWHMO-BQBZGAKWSA-N
  InChIKey: 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
• Cross-matching ID:
  PubChem CID: 115260
  ChEBI ID: CHEBI:141472
  CAS Number: 2922-56-7
  DrugBank ID: DB04701
  INTEDE ID: DR2051

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Gamma-glutamyltranspeptidase 5 (GGT5)	DEH6CAO	GGT5_HUMAN	Substrate	[1]
Gamma-glutamyltranspeptidase 1 (GGT1)	DEPT1ME	GGT1_HUMAN	Substrate	[1]

References

• [1] Gamma-glutamyl compounds: substrate specificity of gamma-glutamyl transpeptidase enzymes. Anal Biochem. 2011 Jul 15;414(2):208-14.