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:
  Bioavailability: The bioavailability of drug is 6.3-18.4% [1]
  Clearance: The clearance of drug is 500-700 mL/min [2]
  Elimination: 16% of carvedilol is excreted in the urine with <2% excreted as unmetabolized drug, and Carvedilol is primarily excreted in the bile and feces [2]
  Half-life: The concentration or amount of drug in body reduced by one-half in 7 - 10 hours [2]
  Metabolism: The drug is metabolized via the CYP2D6, CYP1A2, or CYP1A1 to form 1-hydroxypheylcarvedilol [3]
  Vd: The volume of distribution (Vd) of drug is 1.5-2 L/kg or 115 L [2]

References

• [1] Sullivan HR, Billings RE, McMahon RE: Metabolism of cephalexin-14C in mice and in rats. J Antibiot (Tokyo). 1969 May;22(5):195-200.
• [2] Clinical pharmacokinetics and pharmacodynamics of carvedilol. Clin Pharmacokinet. 1994 May;26(5):335-46. doi: 10.2165/00003088-199426050-00002.
• [3] Wang T, Ueda Y, Zhang Z, Yin Z, Matiskella J, Pearce BC, Yang Z, Zheng M, Parker DD, Yamanaka GA, Gong YF, Ho HT, Colonno RJ, Langley DR, Lin PF, Meanwell NA, Kadow JF: Discovery of the Human Immunodeficiency Virus Type 1 (HIV-1) Attachment Inhibitor Temsavir and Its Phosphonooxymethyl Prodrug Fostemsavir. J Med Chem. 2018 Jul 26;61(14):6308-6327. doi: 10.1021/acs.jmedchem.8b00759. Epub 2018 Jul 13.