Details of the Drug

General Information of Drug (ID: DM4N7BT)

• Drug Name: Paritaprevir
• Synonyms: (2R,6S,13aS,14aR,16aS,Z)-N-(cyclopropylsulfonyl)-6-(5-methylpyrazine-2-carboxamido)-5,16-dioxo-2-(phenanthridin-6-yloxy)-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a-carboxamide; ABT 450; ABT-450; ABT450; CHEMBL3391662; EX-A2278; OU2YM37K86; Paritaprevir; Paritaprevir [USAN:INN]; Paritaprevir(ABT-450); Paritaprevir(Veruprevir ABT-450); SCHEMBL3069964; UNII-OU2YM37K86; Veruprevir; Veruprevir [INN]; Veruprevir anhydrous

Indication

Disease Entry	ICD 11	Status	REF
Hepatitis C	1E51	Approved	[1]

• Therapeutic Class: Antiviral Agent
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight; 765.886
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 7
  Hydrogen Bond Donor Count; 3
  Hydrogen Bond Acceptor Count; 10
• ADMET Property:
  Absorption Cmax: The maximum plasma concentration (Cmax) of drug is 194 mcg/L []
  Absorption Tmax: The time to maximum plasma concentration (Tmax) is 4-5 h []
  Elimination: Following a single dose administration of 14C-paritaprevir co-dosed with 100 mg of ritonavir, approximately 88% of the radioactivity was recovered in feces with limited radioactivity (8.8%) in urine; unchanged paritaprevir accounted for 1.1% of the radioactivity in the feces and 0.05% in the urine []
  Half-life: The concentration or amount of drug in body reduced by one-half in 5.5 hours []
  Metabolism: The drug is metabolized via the CYP3A4 and to a lesser extent by CYP3A5 []
  Vd: The volume of distribution (Vd) of drug is 103 L []
• Chemical Identifiers:
  Formula: C40H43N7O7S
  IUPAC Name: (1S,4R,6S,7Z,14S,18R)-N-cyclopropylsulfonyl-14-[(5-methylpyrazine-2-carbonyl)amino]-2,15-dioxo-18-phenanthridin-6-yloxy-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide
  Canonical SMILES: CC1=NC=C(N=C1)C(=O)NC2CCCCCC=CC3CC3(NC(=O)C4CC(CN4C2=O)OC5=NC6=CC=CC=C6C7=CC=CC=C75)C(=O)NS(=O)(=O)C8CC8
  InChI: InChI=1S/C40H43N7O7S/c1-24-21-42-33(22-41-24)35(48)43-32-16-6-4-2-3-5-11-25-20-40(25,39(51)46-55(52,53)27-17-18-27)45-36(49)34-19-26(23-47(34)38(32)50)54-37-30-14-8-7-12-28(30)29-13-9-10-15-31(29)44-37/h5,7-15,21-22,25-27,32,34H,2-4,6,16-20,23H2,1H3,(H,43,48)(H,45,49)(H,46,51)/b11-5-/t25-,26-,32+,34+,40-/m1/s1
  InChIKey: UAUIUKWPKRJZJV-QPLHLKROSA-N
• Cross-matching ID:
  PubChem CID: 45110509
  CAS Number: 1216941-48-8
  DrugBank ID: DB09297
  VARIDT ID: DR01312

Molecular Interaction Atlas of This Drug

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
P-glycoprotein 1 (ABCB1)	DTUGYRD	MDR1_HUMAN	Substrate	[2]

References

• [1] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
• [2] Tarascon Pocket Pharmacopoeia 2018 Classic Shirt-Pocket Edition.