zenarestat

Ligand id: 7418

Name: zenarestat

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 77.92
Molecular weight 439.96
XLogP 3.3
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[3-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-2,4-dioxoquinazolin-1-yl]acetic acid
International Nonproprietary Names
INN number INN
6748 zenarestat
Synonyms
FK-366 | FR-74366
Database Links
CAS Registry No. 112733-06-9
ChEMBL Ligand CHEMBL10413
DrugBank Ligand DB02132
PubChem CID 5724
RCSB PDB Ligand ZES
Search Google for chemical match using the InChIKey SXONDGSPUVNZLO-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey SXONDGSPUVNZLO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SXONDGSPUVNZLO
SynPHARM 80085 (in complex with aldo-keto reductase family 1 member B)
Wikipedia Zenarestat
Comments
Zenarestat is an experimental aldose reductase inhibitor.