Details of the Drug

General Information of Drug (ID: DMP9N85)

Drug Name

Menadiol sodium diphosphate

Synonyms

Kappadione; Synkavit; Procoagulo; Synkavite; Thylokay; Kipca water soluble; Synkayvite; Menadiol sodium diphosphate; Menadione sodium phosphate; Sodium menadione diphosphate; Menadiol Sodium Diphosphate Anhydrous; UNII-R2L46WE615; Menadiol tetrasodium diphosphate; EINECS 205-012-1; Menadione diphosphate tetrasodium salt; 1:4-Naphthaquinol-bisdisodium phosphate; 131-13-5; Menadiol sodium diphosphate anhydrous [USAN]; R2L46WE615; 2-Methyl-1,4-naphthaquinol bis(disodium phosphate); Tetrasodium 2-methyl-1,4-naphthalenediol diphosp

Indication

Disease Entry	ICD 11	Status	REF
Coagulation defect	3B10.0	Approved	[1]
Obstructive jaundice	N.A.	Approved	[2]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

422.08

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

ADMET Property

Clearance: The clearance of drug is 0.822 +/- 0.254 L/min []
Elimination: In tracer studies, it was found that approximately 20% of an injected dose of phylloquinone (Vitamin K metabolite) was found in the urine whereas about 40-50 % was excreted in the feces via the biliary system [3]
Half-life: The concentration or amount of drug in body reduced by one-half in 27.17 minutes [4]
Metabolism: The drug is metabolized via the enzymes such as microsomal NADPHCcytochrome P450 reductase and mitochondrial NADHCubiquinone oxidoreductase (complex I) [5]
Vd: The volume of distribution (Vd) of drug is 30.833 +/- 12.835 L [6]

Chemical Identifiers

Formula: C11H8Na4O8P2
IUPAC Name: tetrasodium;(2-methyl-4-phosphonatooxynaphthalen-1-yl) phosphate
Canonical SMILES: CC1=C(C2=CC=CC=C2C(=C1)OP(=O)([O-])[O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]
InChI: InChI=1S/C11H12O8P2.4Na/c1-7-6-10(18-20(12,13)14)8-4-2-3-5-9(8)11(7)19-21(15,16)17;;;;/h2-6H,1H3,(H2,12,13,14)(H2,15,16,17);;;;/q;4*+1/p-4
InChIKey: GZBACHSOZNEZOG-UHFFFAOYSA-J

Cross-matching ID

PubChem CID: 8555
CAS Number: 131-13-5
UNII: R2L46WE615
DrugBank ID: DB09332
TTD ID: D09KGQ
INTEDE ID: DR0902

Repurposed Drugs (RPD)

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Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
NADPH-cytochrome P450 reductase (CPR)	DE3N2FM	NCPR_HUMAN	Substrate	[7]
Vitamin K1 2,3-epoxide reductase 1 (VKOR)	DEVRYQN	VKOR1_HUMAN	Substrate	[8]

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Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2	Menadiol sodium diphosphate FDA Label
3	Chapter 10. Vitamin K
4	Menadione
5	Madelain V, Nguyen TH, Olivo A, de Lamballerie X, Guedj J, Taburet AM, Mentre F: Ebola Virus Infection: Review of the Pharmacokinetic and Pharmacodynamic Properties of Drugs Considered for Testing in Human Efficacy Trials. Clin Pharmacokinet. 2016 Aug;55(8):907-23. doi: 10.1007/s40262-015-0364-1.
6	A pharmacokinetic study with the high-dose anticancer agent menadione in rabbits
7	Creatinine sulfate/esculoside/hesperidin methyl chalcone/menadiol sodium phosphate/tranexamic acid actions.
8	SMPDB database: Vitamin K Metabolism