dicumarol

Ligand id: 6808

Name: dicumarol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 93.06
Molecular weight 336.06
XLogP 3.67
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1944))
Withdrawn drug? Yes
IUPAC Name
4-hydroxy-3-[(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]-2H-chromen-2-one
Synonyms
bishydroxycoumarin | Melitoxin®
Database Links
CAS Registry No. 66-76-2
ChEMBL Ligand CHEMBL1466
DrugBank Ligand DB00266
GtoPdb PubChem SID 178103414
PubChem CID 54676038
Search Google for chemical match using the InChIKey DOBMPNYZJYQDGZ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DOBMPNYZJYQDGZ
Search UniChem for chemical match using the InChIKey DOBMPNYZJYQDGZ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DOBMPNYZJYQDGZ
Wikipedia Dicumarol
Comments
Vitamin K epoxide reductase complex subunit 1 isoform 1 inhibitor