phenprocoumon

Ligand id: 6839

Name: phenprocoumon

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 46.53
Molecular weight 280.11
XLogP 6.74
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1957))
Withdrawn drug? Yes
IUPAC Name
4-hydroxy-3-(1-phenylpropyl)-2H-chromen-2-one
International Nonproprietary Names
INN number INN
247 phenprocoumon
Synonyms
Liquamar® | phenprocoumarol
Database Links
CAS Registry No. 435-97-2
DrugBank Ligand DB00946
PubChem CID 54680692
Search Google for chemical match using the InChIKey DQDAYGNAKTZFIW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DQDAYGNAKTZFIW
Search PubMed clinical trials phenprocoumon
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Search UniChem for chemical match using the InChIKey DQDAYGNAKTZFIW-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DQDAYGNAKTZFIW
Wikipedia Phenprocoumon
Comments
Vitamin K epoxide reductase complex subunit 1 isoform 1 inhibitor. The INN-designated compound is a racemic mixture of two enantiomers.The structure shown here does not specify stereochemistry and represents the mixture.