Details of the Drug

General Information of Drug (ID: DMJ85FS)

Drug Name
Glutathione-S-S-glutathione
Synonyms
oxiglutatione; glutathione disulfide; GSSG; oxidized glutathione; Glutathione disulphide; L-Glutathione oxidized; Glutathione-ssg; Glutathione, oxidized; Oxigluthione; glutathione oxidized; Glutathone disulfide; Bi(glutathion-S-yl); Oxidized L-glutathione; L-Oxidized glutathione; L(-)-Glutathione; Oxiglutatione [INN]; S,S'-Ethylenebis(glutathione); Oxiglutationum [INN-Latin]; Oxiglutationa [INN-Spanish]; CCRIS 780; OXIDIZED GLUTATHIONE DISULFIDE; Glutathiol; UNII-ULW86O013H
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
4		 Molecular Weight 612.6
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 21
Hydrogen Bond Donor Count 10
Hydrogen Bond Acceptor Count 16
Chemical Identifiers
Formula
C20H32N6O12S2
IUPAC Name
(2S)-2-amino-5-[[(2R)-3-[[(2R)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Canonical SMILES
C(CC(=O)NC(CSSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)NCC(=O)O)C(C(=O)O)N
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
InChIKey
YPZRWBKMTBYPTK-BJDJZHNGSA-N
Cross-matching ID
PubChem CID
65359
ChEBI ID
CHEMBL1372
CAS Number
27025-41-8
VARIDT ID
DR01698
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Multidrug resistance-associated protein 3 (ABCC3) DTQ3ZHF MRP3_HUMAN Substrate [1]
Multidrug resistance-associated protein 2 (ABCC2) DTFI42L MRP2_HUMAN Substrate [2]
Multidrug resistance-associated protein 1 (ABCC1) DTSYQGK MRP1_HUMAN Substrate [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 MRP2 and 3 in health and disease. Cancer Lett. 2006 Mar 8;234(1):51-61.
2 Purification of the human apical conjugate export pump MRP2 reconstitution and functional characterization as substrate-stimulated ATPase. Eur J Biochem. 1999 Oct 1;265(1):281-9.
3 Anthracyclines modulate multidrug resistance protein (MRP) mediated organic anion transport. Biochim Biophys Acta. 1997 May 22;1326(1):12-22.