Details of the Drug

General Information of Drug (ID: )

• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw)
  Logarithm of the Partition Coefficient (xlogp)
  Rotatable Bond Count (rotbonds)
  Hydrogen Bond Donor Count (hbonddonor)
  Hydrogen Bond Acceptor Count (hbondacc)
• ADMET Property:
  BDDCS Class: Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 3: high solubility and low permeability [1]
  Clearance: The drug present in the plasma can be removed from the body at the rate of 3.6 mL/min/kg [2]
  Elimination: 85% of drug is excreted from urine in the unchanged form [1]
  Half-life: The concentration or amount of drug in body reduced by one-half in 0.81 hours [2]
  MRTD: The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 401.04211 micromolar/kg/day [3]
  Unbound Fraction: The unbound fraction of drug in plasma is 0.73% [2]
  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 0.17 L/kg [2]
  Water Solubility: The ability of drug to dissolve in water is measured as 1000 mg/mL [1]

References

• [1] BDDCS applied to over 900 drugs
• [2] Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
• [3] Estimating the safe starting dose in phase I clinical trials and no observed effect level based on QSAR modeling of the human maximum recommended daily dose