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

General Information of Drug (ID: DR5356)
Drug Name
VESNARINONE
Synonyms
vesnarinone; 81840-15-5; Arkin-Z; Piteranometozine; OPC-8212; Arkin; Vesnarinonum [Latin]; Vesnarinona [Spanish]; UNII-5COW40EV8M; OPC 8212; Vesnarinone [USAN:INN:JAN]; CCRIS 1451; DRG-0210; BRN 5644229; 5COW40EV8M; CHEMBL17423; 6-(4-(3,4-Dimethoxybenzoyl)-1-piperazinyl)-3,4-dihydro-2(1H)-; 1-(1,2,3,4-Tetrahydro-2-oxo-6-quinolyl)-4-veratroylpiperazine; 6-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one; 3,4-Dihydro-6-(4-(3,4-dimethoxybenzoyl)-1-piperazinyl)-2(1H)-quinolinone
Indication Cardiac failure [ICD11: BD10-BD1Z] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 395.5 Topological Polar Surface Area 71.1
Heavy Atom Count 29 Rotatable Bond Count 4
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
5663
ChEBI ID
CHEBI:31237
CAS Number
81840-15-5
TTD Drug ID
D0L0ZF
Formula
C22H25N3O4
Canonical SMILES
COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC4=C(C=C3)NC(=O)CC4)OC
InChI
InChI=1S/C22H25N3O4/c1-28-19-7-3-16(14-20(19)29-2)22(27)25-11-9-24(10-12-25)17-5-6-18-15(13-17)4-8-21(26)23-18/h3,5-7,13-14H,4,8-12H2,1-2H3,(H,23,26)
InChIKey
ZVNYJIZDIRKMBF-UHFFFAOYSA-N
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
OPC-18136 DM015931
15789045
Unclear - Unclear 1 [3]
OPC-18137 DM016435
100934262
Unclear - Unclear 1 [3]
OPC-8192 DM016436
100934263
Unclear - Unclear 1 [3]
OPC-8230 DM015735
11117896
Unclear - Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR010914 Vesnarinone OPC-8230 Unclear - Unclear Unclear [3]
MR010915 Vesnarinone OPC-18136 Unclear - Unclear Unclear [3]
MR010916 Vesnarinone OPC-18137 Unclear - Unclear Unclear [3]
MR010917 Vesnarinone OPC-8192 Unclear - Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2E1 (CYP2E1) DME0013 Homo sapiens
CP2E1_HUMAN
1.14.14.1
[2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 Effect of disulfiram-mediated CYP2E1 inhibition on the disposition of vesnarinone
3 LC/MS/MS analysis of vesnarinone and its principal metabolites in plasma and urine

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