WARFARIN SODIUM

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 6153CWM0CL
EPA CompTox DTXSID7035010
Parent Compound: WARFARIN

Structure

InChI Key KYITYFHKDODNCQ-UHFFFAOYSA-M
Smiles CC(=O)CC(c1ccccc1)c1c([O-])c2ccccc2oc1=O.[Na+]
InChI
InChI=1S/C19H16O4.Na/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22;/h2-10,15,21H,11H2,1H3;/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H15NaO4
Molecular Weight 330.31
AlogP 3.61
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 67.51
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 23.0

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action Action Reference
Vitamin k epoxide reductase complex subunit 1 isoform 1 inhibitor INHIBITOR PubMed DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 10
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Equus caballus
- - - - 10

Target Conservation

Protein: Vitamin k epoxide reductase complex subunit 1 isoform 1
Description: Vitamin K epoxide reductase complex subunit 1
Organism : Homo sapiens
Q9BQB6 ENSG00000167397

Cross References

Resources Reference
CAS NUMBER 129-06-6
ChEMBL CHEMBL1200879
FDA SRS 6153CWM0CL
PubChem 16204922
SureChEMBL SCHEMBL7826
CONTENTS