zopolrestat

Ligand id: 7419

Name: zopolrestat

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 98.74
Molecular weight 419.06
XLogP 4.54
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[4-oxo-3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]phthalazin-1-yl]acetic acid
International Nonproprietary Names
INN number INN
6740 zopolrestat
Synonyms
CP-73850
Database Links
CAS Registry No. 110703-94-1
ChEMBL Ligand CHEMBL10372
DrugBank Ligand DB08772
PubChem CID 1613
RCSB PDB Ligand ZST
Search Google for chemical match using the InChIKey BCSVCWVQNOXFGL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BCSVCWVQNOXFGL
Search PubMed clinical trials zopolrestat
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Search UniChem for chemical match using the InChIKey BCSVCWVQNOXFGL-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BCSVCWVQNOXFGL
SynPHARM 80084 (in complex with aldo-keto reductase family 1 member B)
Comments
Zopolrestat is an experimental aldose reductase inhibitor.