BrBzGSHCp2

Basic Information

CAS ID: 166038-00-2
Molecular Formula: C27H38BrN3O6S
Molecular Weight: 612.6 g/mol
Monoisotopic Mass: 611.1665 g/mol
Class: Small Molecule
Natural Product: No
Other Names: S-4-Bromobenzylglutathione Cyclopentyl Diester
Analysis: Drug repositioning mechanism analysis

NH2 O NH S Br O NH O O O O

Compound Structure and Identifier

InChI: InChI=1S/C27H38BrN3O6S/c28-19-11-9-18(10-12-19)16-38-17-23(26(34)30-15-25(33)36-20-5-1-2-6-20)31-24(32)14-13-22(29)27(35)37-21-7-3-4-8-21/h9-12,20-23H,1-8,13-17,29H2,(H,30,34)(H,31,32)/t22-,23-/m0/s1 See All
InChI Key: QIFSPGPRHFNZNN-GOTSBHOMSA-N
Smiles: N[C@@H](CCC(=O)N[C@@H](CSCc1ccc(Br)cc1)C(=O)NCC(=O)OC2CCCC2)C(=O)OC3CCCC3 See All
Molfile: Download

Related Target

Target ID Name Interaction
T0913 Lactoylglutathione lyase inhibitor

Related Fibrosis Property

Reference Record 1

PubMed ID 28231326 Target ID T0913
Uniprot ID Lactoylglutathione lyase Name Lactoylglutathione lyase
Model vitro,rat Fibrosis Disease Liver fibrosis
Process I attenue inflammation
Process II
Process III prevenet collagen deposition
Mechanism

Related Link

PubChem: 127939
ChEMBL: CHEMBL517039