GLUTATHIONE

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Synonyms
Status
Molecule Category Free-form
ATC V03AB32
UNII GAN16C9B8O
EPA CompTox DTXSID6023101

Structure

InChI Key RWSXRVCMGQZWBV-WDSKDSINSA-N
Smiles N[C@@H](CCC(=O)N[C@@H](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)/t5-,6-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H17N3O6S
Molecular Weight 307.33
AlogP -2.21
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 9.0
Polar Surface Area 158.82
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 20.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- 20 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 67.16-87.82
Transporter Primary active transporter ATP-binding cassette ABCC subfamily
- - - - 10
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 67.16-87.82
Mesocricetus auratus
- - - - 10
Schistosoma japonicum
- 20 - - -

Related Entries

Cross References

Resources Reference
ChEBI 16856
ChEMBL CHEMBL1543
DrugBank DB00143
DrugCentral 1312
FDA SRS GAN16C9B8O
Human Metabolome Database HMDB0000125
Guide to Pharmacology 6737
KEGG C02471
PDB GSH
PubChem 124886
SureChEMBL SCHEMBL9167
ZINC ZINC000003830891
CONTENTS