Details of the Drug

General Information of Drug (ID: DMLPICK)

• Drug Name: Quinidine
• Synonyms: Quinact; Quinaglute; Quinalan; Quinatime; Quindine; Quinicardine; Quinidex; Quinidine sulfate; Quiniduran; Quinora; beta-Quinine; Cardioquin; Chinidin; Chinidine; Cin-Quin; Cinchonan-9-ol, 6'-methoxy-, (9S)-; Conchinin; Conchinine; Conquinine; Duraquin; ITX08688JL; Kinidin; Pitayine; chinidinum; quinidina; quinidine; (+)-Quinidine; (8R,9S)-Quinidine; (9S)-6'-Methoxycinchonan-9-ol; (S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methanol; 56-54-2; CHEBI:28593; CHEMBL1294; MFCD00135581; UNII-ITX08688JL

Indication

Disease Entry	ICD 11	Status	REF
Tachyarrhythmias	BC71	Approved	[1]

• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 324.4
  Topological Polar Surface Area (xlogp); 2.9
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• ADMET Property:
  BDDCS Class: Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 1: high solubility and high permeability [2]
  Bioavailability: 75% of drug becomes completely available to its intended biological destination(s) [3]
  Clearance: The clearance of drug is 3C5 mL/min/kg in adults [4]
  Elimination: 18% of drug is excreted from urine in the unchanged form [2]
  Half-life: The concentration or amount of drug in body reduced by one-half in 6 - 8 hours [5]
  MRTD: The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 30.82362 micromolar/kg/day [6]
  Unbound Fraction: The unbound fraction of drug in plasma is 0.26% [5]
  Vd: The volume of distribution (Vd) of drug is 2-3 L/kg [4]
  Water Solubility: The ability of drug to dissolve in water is measured as 11.1 mg/mL [2]
• Chemical Identifiers:
  Formula: C20H24N2O2
  IUPAC Name: (S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
  Canonical SMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O
  InChI: LOUPRKONTZGTKE-LHHVKLHASA-N
  InChIKey: 1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1
• Cross-matching ID:
  PubChem CID: 441074
  ChEBI ID: CHEBI:28593
  CAS Number: 56-54-2
  DrugBank ID: DB00908
  INTEDE ID: DR1379

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4)	DE4LYSA	CP3A4_HUMAN	Substrate	[7]
Cytochrome P450 2E1 (CYP2E1)	DEVDYN7	CP2E1_HUMAN	Substrate	[8]
Cytochrome P450 2D6 (CYP2D6)	DECB0K3	CP2D6_HUMAN	Substrate	[9]
Cytochrome P450 2C9 (CYP2C9)	DE5IED8	CP2C9_HUMAN	Substrate	[10]
Cytochrome P450 2C8 (CYP2C8)	DES5XRU	CP2C8_HUMAN	Substrate	[11]
Cytochrome P450 3A7 (CYP3A7)	DERD86B	CP3A7_HUMAN	Substrate	[12]

References

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