Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR0902)
Drug Name
Kappadione
Synonyms
Kappadione; Kipca water soluble; Menadiol sodium diphosphate; Menadiol tetrasodium diphosphate; Menadione sodium phosphate; Procoagulo; R2L46WE615; Sodium menadione diphosphate; Synkavit; Synkavite; Synkayvite; Thylokay; 131-13-5; 1:4-Naphthaquinol-bisdisodium phosphate; 2-Methyl-1,4-naphthaquinol bis(disodium phosphate); EINECS 205-012-1; Menadiol Sodium Diphosphate Anhydrous; Menadiol sodium diphosphate anhydrous [USAN]; Menadione diphosphate tetrasodium salt; UNII-R2L46WE615
Indication Coagulation defect [ICD11: 3B10] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 422.08 Topological Polar Surface Area 145
Heavy Atom Count 25 Rotatable Bond Count 2
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
8555
CAS Number
131-13-5
TTD Drug ID
D09KGQ
Formula
C11H8Na4O8P2
Canonical SMILES
CC1=C(C2=CC=CC=C2C(=C1)OP(=O)([O-])[O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]
InChI
1S/C11H12O8P2.4Na.H2O/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);;;;;1H2/q;4*+1;/p-4
InChIKey
GZBACHSOZNEZOG-UHFFFAOYSA-J
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Menadione DM003067
4055
Unclear 1 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR001310 Kappadione Menadione Unclear Unclear [4]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
NADPH-cytochrome P450 reductase (CPR) DME0076 Homo sapiens
NCPR_HUMAN
1.6.2.4
[2]
Vitamin K1 2,3-epoxide reductase 1 (VKOR) DME0149 Homo sapiens
VKOR1_HUMAN
1.17.4.4
[3]
References
1 Kappadione was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Creatinine sulfate/esculoside/hesperidin methyl chalcone/menadiol sodium phosphate/tranexamic acid actions.
3 SMPDB database: Vitamin K Metabolism
4 Endocrine Disrupters

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