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

General Information of Drug (ID: DR0167)
Drug Name
NE-10064
Synonyms
AZIMILIDE; Azimilide [INN:BAN]; LS-173360; SB16843; 1-({[5-(4-chlorophenyl)furan-2-yl]methylidene}amino)-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione; 1-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione; 149908-53-2; 2,4-Imidazolidinedione, 1-(((5-(4-chlorophenyl)-2-furanyl)methylene)amino)-3-(4-(4-methyl-1-piperazinyl)butyl)-; AC-8809; AC1Q3T08; AKOS015960510; AN-7673; BC202421; CHEBI:34545; CS-3489; DB04957; HY-18600; SCHEMBL26354; SCHEMBL26355
Indication Cardiac arrhythmia [ICD11: BC65] Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 458 Topological Polar Surface Area 72.6
Heavy Atom Count 32 Rotatable Bond Count 8
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
9571004
PubChem SID
854022 ; 7978750 ; 14833668 ; 23996681 ; 44709202 ; 50064481 ; 50070831 ; 50363598 ; 57372898 ; 93300234 ; 103357886 ; 117470042 ; 126626730 ; 126657825 ; 126664981 ; 134339212 ; 135049470 ; 137048405 ; 142105729 ; 152099929 ; 163693485 ; 164788077 ; 175426919 ; 179149965 ; 223442513 ; 223659937 ; 226414227 ; 226414228 ; 249581702 ; 252345353
ChEBI ID
CHEBI:34545
CAS Number
149908-53-2
TTD Drug ID
D0J6II
Formula
C23H28ClN5O3
Canonical SMILES
CN1CCN(CC1)CCCCN2C(=O)CN(C2=O)N=CC3=CC=C(O3)C4=CC=C(C=C4)Cl
InChI
1S/C23H28ClN5O3/c1-26-12-14-27(15-13-26)10-2-3-11-28-22(30)17-29(23(28)31)25-16-20-8-9-21(32-20)18-4-6-19(24)7-5-18/h4-9,16H,2-3,10-15,17H2,1H3/b25-16+
InChIKey
MREBEPTUUMTTIA-PCLIKHOPSA-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
NE-10064 Metabolite M1 DM003353 N. A. Unclear 1 [2]
NE-10064 Metabolite M2 DM003349 N. A. Unclear 1 [2]
NE-10064 Metabolite M3 DM003351 N. A. Unclear 1 [2]
NE-10064 Metabolite M4 DM003348 N. A. Oxidation - N-oxidation 1 [2]
NE-10064 Metabolite M5 DM003352 N. A. Unclear 1 [2]
NE-10064 Metabolite M6 DM003350 N. A. Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR003783 NE-10064 NE-10064 Metabolite M4 Oxidation - N-oxidation CYP3A4 ... [2]
MR003784 NE-10064 NE-10064 Metabolite M2 Unclear CYP1A1 [2]
MR003785 NE-10064 NE-10064 Metabolite M6 Unclear Unclear [2]
MR003786 NE-10064 NE-10064 Metabolite M3 Unclear Unclear [2]
MR003787 NE-10064 NE-10064 Metabolite M5 Unclear CYP3A4 ... [2]
MR003788 NE-10064 NE-10064 Metabolite M1 Unclear Unclear [2]
⏷ Show the Full List of 6 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 1A1 (CYP1A1) DME0006 Homo sapiens
CP1A1_HUMAN
1.14.14.1
[2]
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
Cytochrome P450 3A5 (CYP3A5) DME0012 Homo sapiens
CP3A5_HUMAN
1.14.14.1
[2]
Flavin-containing monooxygenase (FMO) DMEN075 . Not Available Not Available [2]
References
1 New antiarrhythmic agents for atrial fibrillation and atrial flutter. Expert Opin Emerg Drugs. 2005 May;10(2):311-22.
2 The metabolic profile of azimilide in man: in vivo and in vitro evaluations. J Pharm Sci. 2005 Sep;94(9):2084-95.

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