WARFARIN SODIUM

Search structure
Trade Names:
Synonyms:
Status: Approved (1954)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 6153CWM0CL
Parent Compound: WARFARIN

Structure
InChI Key KYITYFHKDODNCQ-UHFFFAOYSA-M
Smile 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

Pharmacology

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

Metabolites

visNetwork

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Venous Thrombosis 4 D020246 ClinicalTrials
Venous Thrombosis 4 D020246 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Vascular disorders
19.71
Injury, poisoning and procedural complications
9.79
Investigations
9.14
General disorders and administration site conditions
8.74
Nervous system disorders
8.21
Gastrointestinal disorders
7.17
Cardiac disorders
4.5
Respiratory, thoracic and mediastinal disorders
4.46
Skin and subcutaneous tissue disorders
4.41
Musculoskeletal and connective tissue disorders
4.15
Blood and lymphatic system disorders
2.98
Renal and urinary disorders
2.63
Metabolism and nutrition disorders
2.28
Infections and infestations
2.07

Cross References

Resources Reference
ChEMBL CHEMBL1200879
EPA CompTox DTXSID7035010
FDA SRS 6153CWM0CL
PubChem 16204922
SureChEMBL SCHEMBL7826
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