Details of the Drug

General Information of Drug (ID: DMXYLQ3)

• Drug Name: Lansoprazole
• Synonyms: Lancid; Lanproton; Lansopep; Lansoprazol; Lansoprazol [INN-Spanish]; Lansoprazole [USAN:BAN:INN]; Lansoprazolum; Lansoprazolum [INN-Latin]; Lansox; Lanston; Lanzol-30; Lanzopral; Lanzor; Lasoprol; Limpidex; Mesactol; Monolitum; Ogastro; Opiren; Agopton; Aprazol; Bamalite; Blason; Compraz; Ilsatec; Ketian; Prevacid; Prevacid 24HR; Prevacid Iv; Prevacid NapraPAC; Prevacid SoluTab; Prezal; Pro Ulco; Prosogan; Suprecid; Takepron; Zoprol; lansoprazole; 103577-45-3; A-65006; AG 1749; AG-1749; CHEBI:6375; Dakar; HSDB 7204; Lanz; Lanzo; Ogast; Promp; Ulpax; Zoton

Indication

Disease Entry	ICD 11	Status	REF
Duodenal ulcer	DA63	Approved	[1]

• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 369.4
  Topological Polar Surface Area (xlogp); 2.8
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 8
• ADMET Property:
  Absorption Tmax: The time to maximum plasma concentration (Tmax) is 1.7 h [2]
  BDDCS Class: Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 2: low solubility and high permeability [3]
  Bioavailability: The bioavailability of drug is 80-90% [2]
  Clearance: The clearance of drug is 400-650 mL/min [4]
  Elimination: 14-23% of drug is eliminated in the urine with this percentage range including both conjugated and unconjugated hydroxylated metabolites [5]
  Half-life: The concentration or amount of drug in body reduced by one-half in less than 2 hours [2]
  Metabolism: The drug is metabolized via the liver [4]
  MRTD: The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 1.35366 micromolar/kg/day [6]
  Unbound Fraction: The unbound fraction of drug in plasma is 0.021% [7]
  Vd: The volume of distribution (Vd) of drug is 0.4 L/kg [4]
  Water Solubility: The ability of drug to dissolve in water is measured as 0.00097 mg/mL [3]
• Chemical Identifiers:
  Formula: C16H14F3N3O2S
  IUPAC Name: 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]-1H-benzimidazole
  Canonical SMILES: CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F
  InChI: MJIHNNLFOKEZEW-UHFFFAOYSA-N
  InChIKey: 1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)
• Cross-matching ID:
  PubChem CID: 3883
  ChEBI ID: CHEBI:6375
  CAS Number: 103577-45-3
  DrugBank ID: DB00448
  INTEDE ID: DR0915

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4) Main DME	DE4LYSA	CP3A4_HUMAN	Substrate	[8]
Cytochrome P450 2C9 (CYP2C9)	DE5IED8	CP2C9_HUMAN	Substrate	[9]
Mephenytoin 4-hydroxylase (CYP2C19) Main DME	DEGTFWK	CP2CJ_HUMAN	Substrate	[10]
Cytochrome P450 2C8 (CYP2C8)	DES5XRU	CP2C8_HUMAN	Substrate	[11]
Cytochrome P450 2C18 (CYP2C18)	DEZMWRE	CP2CI_HUMAN	Substrate	[12]

References

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