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

General Information of Drug (ID: DR2049)
Drug Name
Glutathiol
Synonyms
NOV-002; Bi(glutathion-S-yl); Glutathiol; Glutathione disulphide; Glutathione, oxidized; Glutathione-S-S-glutathione; Glutathione-ssg; Glutathone disulfide; L(-)-Glutathione; L-Glutathione oxidized; L-Oxidized glutathione; OXIDIZED GLUTATHIONE DISULFIDE; Oxidized L-glutathione; Oxiglutationa [INN-Spanish]; Oxiglutatione [INN]; Oxiglutationum [INN-Latin]; Oxigluthione; S,S'-Ethylenebis(glutathione); glutathione disulfide; glutathione oxidized; oxidized glutathione; oxiglutatione; 27025-41-8; CCRIS 780; GSSG; UNII-ULW86O013H
Indication Ovarian cancer [ICD11: 2C73] Phase 2 [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 612.6 Topological Polar Surface Area 368
Heavy Atom Count 40 Rotatable Bond Count 21
Hydrogen Bond Donor Count 10 Hydrogen Bond Acceptor Count 16
Cross-matching ID
PubChem CID
65359
PubChem SID
3427 ; 585870 ; 806879 ; 841098 ; 3136528 ; 7847099 ; 7887808 ; 7887987 ; 8145606 ; 8189646 ; 14789556 ; 14838688 ; 24849044 ; 24873116 ; 24873118 ; 24895168 ; 24895174 ; 24895265 ; 26715683 ; 26754399 ; 29215201 ; 43122165 ; 48493821 ; 49973708 ; 53789868 ; 57315456 ; 57651219 ; 75931676 ; 81044516 ; 81065831 ; 85164993 ; 87325785 ; 91689687 ; 92309454 ; 96100227 ; 99452992 ; 103458646 ; 104333553 ; 118048837 ; 124570891 ; 126596846 ; 129831439 ; 134222313 ; 134340058 ; 134340320 ; 135022908 ; 135074887 ; 137202462 ; 137262620 ; 141537993
ChEBI ID
CHEBI:17858
CAS Number
27025-41-8
TTD Drug ID
D07BDD
Formula
C20H32N6O12S2
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
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
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
Unclear DM009999 N. A. Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007457 Glutathiol Unclear 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 = 0.0088 microM
GGT1_HUMAN
[2]
Gamma-glutamyltranspeptidase 5 (GGT5) DME0432 Km = 0.0088 microM
GGT5_HUMAN
[2]
References
1 ClinicalTrials.gov (NCT00345540) Efficacy of NOV-002 in Combination With Carboplatin in Chemotherapy-resistant Ovarian Cancer.
2 Gamma-glutamyl compounds: substrate specificity of gamma-glutamyl transpeptidase enzymes. Anal Biochem. 2011 Jul 15;414(2):208-14.

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