AK198

Ligand id: 8637

Name: AK198

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 101.65
Molecular weight 352.06
XLogP 2.06
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[2-[(4-amino-2-fluorophenyl)methylcarbamoyl]-5-chlorophenoxy]acetic acid
Database Links
PubChem CID 91820714
RCSB PDB Ligand I98
Search Google for chemical match using the InChIKey GFJYPJDGRCZNDI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GFJYPJDGRCZNDI
Search UniChem for chemical match using the InChIKey GFJYPJDGRCZNDI-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone GFJYPJDGRCZNDI
SynPHARM 82516 (in complex with aldo-keto reductase family 1 member B)
Comments
AK198 is an aldose reductase probe compound [1].