Glutathione

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Glutathione

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SMILES:NC(CCC(O)=NC(CS)C(O)=NCC(=O)O)C(=O)O

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)

InChI key:RWSXRVCMGQZWBV-UHFFFAOYSA-N

Nom commercial:reduced glutathione

Synonymes: Pharm Biol 11: 539 (1968),glycine, N-(N-L-gamma-glutamyl-L-cysteinyl)-,N-(N-L-.gamma.-Glutamyl-L-cysteinyl)glycine, Tathion,L-Glutathione, Glutathione [JAN], Glutatiol,bmse000185,D00014,L-Glutathione (reduced form), Agifutol S,CCRIS 2094,Glutathione, Pharmaceutical Secondary Standard; Certified Reference Material,L-?-glutamyl-L-cysteinyl-glycine,glutathione reduced,Spectrum3_000946,UNII-GAN16C9B8O, 70-18-8,Tathione,NCGC00264046-02,GTPL6737,L-glutamyl-L-cysteinylglycine, Glutide,MLS001333069, Deltathione, glutathione red,Glutathione [BAN:JAN],KBio3_002012,Glutatione,GLUTATHIONE [INCI],(S)-2-Amino-5-(((R)-1-((carboxymethyl)amino)-3-mercapto-1-oxopropan-2-yl)amino)-5-oxopentanoic acid, Triptide,HY-D0187,L-g-glutamyl-L-cysteinyl-glycine,Glutathione, Reduced,KBio2_006035,C(N-.gamma.Glu-)G,bmse000952,Glutathione 100 microg/mL in Acetonitrile:Water,BenzenaMine, 2-[(4-Methoxyphenyl)Methoxy]-,gamma-glutamyl-cysteinyl-glycine, Glutatione,s4606, Glutathione SH,red. glutathione,BDBM50422268,L-gamma-glutamyl-L-cysteinylglycine,L-Glutathione reduced form,SR-05000002567-1,N-(N-L-?-Glutamyl-L-cysteinyl)glycine,glutathione,N5-((R)-1-((carboxymethyl)amino)-3-mercapto-1-oxopropan-2-yl)-L-glutamine,EINECS 200-725-4,ZINC3830891,Spectrum2_001500,NSC758199,Glutathion, L-gamma-glutamyl-L-cysteinylglycine,Glutathione;, Glutinal,KBioGR_001352,gamma-L-Glutamyl-L-cysteinylglycine,L-Glutathione reduced, cell culture tested, BioReagent, >=98.0%, powder,70-18-8, Glutathion,Reduced Glutathione,(S), Tathione,NCGC00094976-01, Isethion, 5-L-Glutamyl-L-cysteinylglycine,DB00143,Q116907,gamma-L-glutamyl-L-cysteinyl-glycine, Panaron,Tox21_111371_1,[Glu(-Cys)]n-Gly,GLUTATHIONE [VANDF],Isethion,NSC400639,KBio1_000075,5-L-Glutamyl-L-cysteinylglycine,Glycine, L-gamma-glutamyl-L-cysteinyl-,L-Glutathione reduced,1oe7,DTXSID6023101,SCHEMBL9167,Ledac, GSH,L-?-glutamyl-L-cysteinylglycine, Glutathione (reduced),Glutathione [JAN], red. glutathione,G0074,Aec glutathione,1lbk,SMR000857220,gamma-L-Glutamylcysteinylglycine,1r4w,glutathione; l-glutathione reduced; 5-l-glutamyl-l-cysteinylglycine; gamma-l-glutamyl-l-cysteinylglycine; gsh,Glycine, L-.gamma.-glutamyl-L-cysteinyl-,(2S)-2-AMINO-4-{[(1R)-1-[(CARBOXYMETHYL)CARBAMOYL]-2-SULFANYLETHYL]CARBAMOYLBUTANOIC ACID,N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine,L-Glutathione reduced, BioXtra, >=98.0%,Glutathione (JP17),(gamma-Glutamylcysteine)n-glycine,SPBio_001519,Z2183947556,NSC 400639,(2S)-2-Amino-5-({(2R)-1-[(carboxymethyl)amino]-1-oxo-3-sulfanyl-2-propanyl}amino)-5-oxopentanoic acid,EN300-311690,Glutathione (Reduced type),L-Glutatione,106272-20-2,G-3980,Neuthion,CHEBI:60836,GLUTATHIONE [II],Tox21_111371,Glutinal,Glutathione, Reduced Form,GLUTATHIONE [WHO-DD],Agifutol S,GAN16C9B8O,Reduced l-glutathione,C10H17N3O6S,HMS1921N22,MFCD00065939,KBio2_003467,AB00443568_03,Glutathione-SH,GLUTATHIONE [USP-RS], Copren,CHEMBL1543,phytochelatins,reduced glutathione,Glutathione, European Pharmacopoeia (EP) Reference Standard,DS-14675,Glutatiol,Glutham,Cys(N-.gamma.Glu-)-Gly,CS-7948,SMP1_000247, Neuthion,Glutathione, United States Pharmacopeia (USP) Reference Standard,95687-20-0,1oe8,Panaron,gam.-L-Glutamyl-L-cysteinyl-glycine, gamma-L-glutamyl-L-cysteinyl-glycine,Glycine, N-(N-L-gamma-glutamyl-L-cysteinyl),SBI-0051743.P002,L-Glutathione reduced, 97.0%,NSC-758199,(S)-2-Amino-5-((R)-1-(carboxymethylamino)-3-mercapto-1-oxopropan-2-ylamino)-5-oxopentanoic acid,SR-05000002567-2, gamma-L-Glutamyl-L-cysteinylglycine,L-Glutathione reduce,CHEBI:16856,Glutide, reduced glutathione,L-Glutathione, reduced,A866658,N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine,.gamma.-L-Glutamyl-L-cysteinyl-glycine,Tathion (TN),KBioSS_000899,IDI1_000075,Deltathione, L-Glutathione reduced,Copren,AKOS015999135,(2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-sulfanylethyl]carbamoyl}butanoic acid,GLUTATHIONE [MI], gamma-L-Glutamylcysteinylglycine,y-L-Glutamyl-L-cysteinyl-glycine, Ledac,Glutathione SH,ReadiSorb,SR-05000002567,L-Glutathione reduced, Vetec(TM) reagent grade, >=98%, Glutathione-SH,KBio2_000899,C02471,DivK1c_000075,DTXCID903101,Glutathione (reduced),glutathione red,L-Glutathione reduced, >=98.0%,GSH;gamma-L-Glutamyl-L-cysteinyl-glycine,Bakezyme RX,GLUTATHIONE [MART.], L-Glutatione,Spectrum4_001056,Pharmakon1600-01502248,GSH,P19615,GLUTATHIONE [EP MONOGRAPH],Spectrum_000419,SDCCGMLS-0066687.P001,SPECTRUM1502248,NINDS_000075,Triptide,(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid,Spectrum5_000940,CCG-38876,CAS-70-18-8,bmse000956,Tathion,C00051,HMS500D17,L-gamma-glutamyl-L-cysteinyl-glycine

Similarités

Pouvoir identifier des molécules similaires à celle que nous étudions peut permettre d'inférer certaines de ses propriétés. Il existe plusieurs façons de mesurer la similitude entre les molécules, par leur structure, leurs effets, leurs interactions pharmacologiques, etc. Vous pouvez trouver ci-dessous des molécules similaires selon divers critères et des outils que nous avons développés. Pour comprendre les limitations de ces comparaisons, il est crucial de se référer toujours à la méthodologie utilisée pour mesurer ces similitudes.Veuillez noter : Ces informations sont fournies uniquement à des fins informatives et ne doivent pas être interprétées comme des conseils médicaux.

Pour mesurer la similarité structurelle, nous utilisons la méthode Mol2vecmol2vec, qui est un réseau neuronal qui traite les molécules et les transforme en points dans l'espace, de telle sorte que les molécules avec des sous-structures chimiquement apparentées soient transformées en points proches dans l'espace.

Propriétés moléculaires

En utilisant le modèle de KGPT Deep Learning, nous prédisons plusieurs propriétés de la molécule. Les prédictions sont regroupées par l'ensemble de données utilisé pour les obtenir. Avec chaque prédiction, nous fournissons un graphique montrant la distribution des valeurs prédites sur l'ensemble d'entraînement/test/validation. Cela donne une estimation de la fiabilité du modèle.

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TrainValTest
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TrainValTest
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FDA_APPROVED
TrainValTest
0.53-1.27-0.50
Description: A dataset that predicts the solubility of molecules in water. Solubility is an essential property influencing bioavailability and the potential formulation of a drug.
logSolubilitylog(mol/L)
0.74
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Description: This dataset is centered on predicting the free energy when a molecule is dissolved in water. The energy changes can affect molecular interactions in biological systems.
freesolvkcal/mol
-4.07
TrainValTest
Description: A dataset predicting the lipophilicity of molecules. Lipophilicity is a crucial factor affecting the distribution, metabolism, and excretion of drugs in the body.
lipoAlogP
-3.00
TrainValTest
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TrainValTest
-0.17-3.50-2.88
high
TrainValTest
0.72-3.55-0.49
27 entries
12 entries
617 entries

Perspectives avancées

Nous fournissons des analyses plus avancées sur les interactions d'une molécule avec le métabolisme humain, les sites de liaison, etc.

Interaction de cette molécule avec le métabolisme

Nous utilisons un modèle d'apprentissage en profondeur pour prédire les interactions de cette molécule avec le métabolisme. Consultez la source pour comprendre la méthodologie.

Réactions qui métabolisent cette molécule
Alkylation/arylation 2648
Enzymes: Glutathione S-transferase A1
Alkylation/arylation 2649
Enzymes: Glutathione S-transferase A1
Peptide hydrolysis 2467
Enzymes: Gamma-glutamyltranspeptidase 1
Peroxidation 2598
Enzymes: Glutathione peroxidase 1
Reagents
Peroxidation 2599
Enzymes: Glutathione peroxidase 1
Alkylation/arylation 2872
Enzymes: Glutathione S-transferase omega-1
Alkylation/arylation 2873
Enzymes: Glutathione S-transferase omega-1
Alkylation/arylation 2648
Enzymes: Glutathione S-transferase A1
Reagents

Metabolite: InChI=1S/C12H19...

Alkylation/arylation 2649
Enzymes: Glutathione S-transferase A1
Reagents

Metabolite: InChI=1S/C12H19...

Peptide hydrolysis 2467
Enzymes: Gamma-glutamyltranspeptidase 1
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 2598
Enzymes: Glutathione peroxidase 1
Reagents

Metabolite: InChI=1S/C20H32...

Peroxidation 2599
Enzymes: Glutathione peroxidase 1
Reagents

Metabolite: InChI=1S/C20H32...

Alkylation/arylation 2872
Enzymes: Glutathione S-transferase omega-1
Reagents

Metabolite: InChI=1S/C6H8O6...

Alkylation/arylation 2873
Enzymes: Glutathione S-transferase omega-1
Reagents

Metabolite: InChI=1S/CH5AsO...

Alkylation/arylation 2648
Enzymes: Glutathione S-transferase A1
Reagents

Metabolite: InChI=1S/C12H19...

Alkylation/arylation 2649
Enzymes: Glutathione S-transferase A1
Reagents

Metabolite: InChI=1S/C12H19...

Peptide hydrolysis 2467
Enzymes: Gamma-glutamyltranspeptidase 1
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 2598
Enzymes: Glutathione peroxidase 1
Reagents

Metabolite: InChI=1S/C20H32...

Peroxidation 2599
Enzymes: Glutathione peroxidase 1
Reagents

Metabolite: InChI=1S/C20H32...

Alkylation/arylation 2872
Enzymes: Glutathione S-transferase omega-1
Reagents

Metabolite: InChI=1S/C6H8O6...

Alkylation/arylation 2873
Enzymes: Glutathione S-transferase omega-1
Reagents

Metabolite: InChI=1S/CH5AsO...

Alkylation/arylation 2648
Enzymes: Glutathione S-transferase A1
Reagents

Metabolite: InChI=1S/C12H19...

Alkylation/arylation 2649
Enzymes: Glutathione S-transferase A1
Reagents

Metabolite: InChI=1S/C12H19...

Peptide hydrolysis 2467
Enzymes: Gamma-glutamyltranspeptidase 1
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 2598
Enzymes: Glutathione peroxidase 1
Reagents

Metabolite: InChI=1S/C20H32...

Peroxidation 2599
Enzymes: Glutathione peroxidase 1
Reagents

Metabolite: InChI=1S/C20H32...

Alkylation/arylation 2872
Enzymes: Glutathione S-transferase omega-1
Reagents

Metabolite: InChI=1S/C6H8O6...

Alkylation/arylation 2873
Enzymes: Glutathione S-transferase omega-1
Reagents

Metabolite: InChI=1S/CH5AsO...

Glycine conjugation BTMR1325
Enzymes: 2.3.1.13
Reagents

Metabolite: InChI=1S/C12H20...

Glycine conjugation BTMR1325
Enzymes: 2.3.1.13
Reagents

Metabolite: InChI=1S/C12H20...

O-Glucuronidation of aliphatic acid BTMR0167
Enzymes: 2.4.1.17
Reagents

Metabolite: InChI=1S/C16H25...

Thiol glucuronidation BTMR0179
Enzymes: 2.4.1.17
Reagents

Metabolite: InChI=1S/C16H25...

GSH-conjugation of sulfhydryl BTMR0221
Enzymes: 2.5.1.18
Carnitine conjugation BTMR1324
Enzymes: 2.3.1.7
Reagents

Metabolite: InChI=1S/C17H30...

Carnitine conjugation BTMR1324
Enzymes: 2.3.1.7
Reagents

Metabolite: InChI=1S/C17H30...

Réactions qui produisent du métabolisme à partir de cette molécule
Redox reaction 5728
Enzymes: Thioredoxin domain-containing protein 12
Redox reaction 5728
Enzymes: Thioredoxin domain-containing protein 12
Products

Metabolite: InChI=1S/C20H32...

Ester hydrolysis 2119
Enzymes: S-formylglutathione hydrolase
Synthesis 2625
Enzymes: Glutathione synthetase