GLUTATHIONE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Protein
Molecule Category: UNKNOWN
ATC: V03AB32
UNII: GAN16C9B8O

Structure
InChI Key RWSXRVCMGQZWBV-WDSKDSINSA-N
Smile 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
Transporter Primary active transporter ATP-binding cassette ABCC subfamily
- - - - 10

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Peripheral Nervous System Diseases 3 D010523 ClinicalTrials
Peripheral Nervous System Diseases 3 D010523 ClinicalTrials
Pain 3 D010146 ClinicalTrials
Cystic Fibrosis 3 D003550 ClinicalTrials
Parkinson Disease 2 D010300 ClinicalTrials
Pancreatic Neoplasms 2 D010190 ClinicalTrials
Reperfusion Injury 2 D015427 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Persian Gulf Syndrome 1 D018923 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 70-18-8
ChEBI 16856
ChEMBL CHEMBL1543
DrugBank DB00143
DrugCentral 1312
EPA CompTox DTXSID6023101
FDA SRS GAN16C9B8O
Human Metabolome Database HMDB0000125
Guide to Pharmacology 6737
KEGG C02471
PDB GSH
PubChem 124886
SureChEMBL SCHEMBL9167
ZINC ZINC000003830891
CONTENTS