Details of the Drug

General Information of Drug (ID: DMAHMT9)

• Drug Name: Glutathione
• Synonyms: glutathione; 70-18-8; Glutathion; Isethion; Tathion; Glutathione-SH; Glutinal; reduced glutathione; Neuthion; Deltathione; Copren; L-Glutathione reduced; Glutide; Tathione; Triptide; Ledac; Glutatione; GSH; Glutatiol; Panaron; gamma-L-Glutamyl-L-cysteinylglycine; Glutathione SH; L-Glutatione; Glutathione (reduced); Agifutol S; L-gamma-glutamyl-L-cysteinylglycine; gamma-L-glutamyl-L-cysteinyl-glycine; 5-L-Glutamyl-L-cysteinylglycine; Glutathione [JAN]; glutathione red; gamma-L-Glutamylcysteinylglycine; red. glutathione

Indication

Disease Entry	ICD 11	Status	REF
Human immunodeficiency virus infection	1C62	Approved	[1], [2]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 307.33
  Topological Polar Surface Area (xlogp); -4.5
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 6
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C10H17N3O6S
  IUPAC Name: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
  Canonical SMILES: C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
  InChI: InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
  InChIKey: RWSXRVCMGQZWBV-WDSKDSINSA-N
• Cross-matching ID:
  PubChem CID: 124886
  ChEBI ID: CHEBI:16856
  CAS Number: 70-18-8
  DrugBank ID: DB00143
  TTD ID: D02HFD
  VARIDT ID: DR00039
  INTEDE ID: DR2036

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Enzyme unspecific (Enz)	TT3C1VN	NOUNIPROTAC	Modulator	[3], [2]

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Multidrug resistance-associated protein 2 (ABCC2)	DTFI42L	MRP2_HUMAN	Substrate	[4]
Multidrug resistance-associated protein 4 (ABCC4)	DTCSGPB	MRP4_HUMAN	Substrate	[5]
Multidrug resistance-associated protein 1 (ABCC1)	DTSYQGK	MRP1_HUMAN	Substrate	[6]
Breast cancer resistance protein (ABCG2)	DTI7UX6	ABCG2_HUMAN	Substrate	[7]
Organic anion transporting polypeptide 1B3 (SLCO1B3)	DT9C1TS	SO1B3_HUMAN	Substrate	[8]
P-glycoprotein 1 (ABCB1)	DTUGYRD	MDR1_HUMAN	Substrate	[9]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Glutathione S-transferase omega-2 (GSTO2)	DEHMPZR	GSTO2_HUMAN	Substrate	[10]
Glutathione S-transferase omega-1 (GSTO1)	DEZSNJD	GSTO1_HUMAN	Substrate	[10]
Glutathione peroxidase 6 (GPX6)	DEOS3FD	GPX6_HUMAN	Substrate	[11]
Gamma-glutamyltranspeptidase 5 (GGT5)	DEH6CAO	GGT5_HUMAN	Substrate	[12]
Gamma-glutamylcyclotransferase (GGCT)	DEKW6PB	A0A073ACX1_RALSL	Substrate	[13], [14]
Gamma-glutamylcyclotransferase 2 (CHAC2)	DEB4JZV	CHAC2_HUMAN	Substrate	[15]

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