Details of the Drug

General Information of Drug (ID: DMUIBV8)

• Drug Name: Azimilide
• Synonyms: Azimilide [INN:BAN]; 1-({[5-(4-chlorophenyl)furan-2-yl]methylidene}amino)-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione

Indication

Disease Entry	ICD 11	Status	REF
Atrial fibrillation	BC81.3	Phase 3	[1], [2]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 458
  Topological Polar Surface Area (xlogp); 3.2
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 6
• ADMET Property:
  Absorption: The drug is excellent orally absorbed [3]
  BDDCS Class: Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 1: high solubility and high permeability [4]
  Clearance: The drug present in the plasma can be removed from the body at the rate of 2.4 mL/min/kg [5]
  Half-life: The concentration or amount of drug in body reduced by one-half in 79 hours [5]
  Unbound Fraction: The unbound fraction of drug in plasma is 0.06% [5]
  Vd: Fluid volume that would be required to contain the amount of drug present in the body at the same concentration as in the plasma 13 L/kg [5]
• Chemical Identifiers:
  Formula: C23H28ClN5O3
  IUPAC Name: 1-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione
  Canonical SMILES: CN1CCN(CC1)CCCCN2C(=O)CN(C2=O)/N=C/C3=CC=C(O3)C4=CC=C(C=C4)Cl
  InChI: 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
• Cross-matching ID:
  PubChem CID: 9571004
  ChEBI ID: CHEBI:34545
  CAS Number: 149908-53-2
  DrugBank ID: DB04957
  TTD ID: D0J6II
  INTEDE ID: DR0167

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Potassium channel unspecific (KC)	TT1VOHK	NOUNIPROTAC	Modulator	[6]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4)	DE4LYSA	CP3A4_HUMAN	Substrate	[7]
Cytochrome P450 2D6 (CYP2D6)	DECB0K3	CP2D6_HUMAN	Substrate	[7]
Cytochrome P450 3A5 (CYP3A5)	DEIBDNY	CP3A5_HUMAN	Substrate	[7]

References

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