Details of the Drug

General Information of Drug (ID: DMOUMDV)

• Drug Name: Penciclovir
• Synonyms: penciclovir; 39809-25-1; Denavir; Penciclovirum; Vectavir; Penciclovirum [INN-Latin]; Pencyclovir; BRL-39123; BRL 39123; Penciclovir [USAN:INN:BAN]; Penciceovir; UNII-359HUE8FJC; CCRIS 9213; PE2

Indication

Disease Entry	ICD 11	Status	REF
Human immunodeficiency virus infection	1C62	Approved	[1], [2]

• Therapeutic Class: Antiviral Agents
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 253.26
  Topological Polar Surface Area (xlogp); -1.9
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 5
• ADMET Property:
  BDDCS Class: Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 3: high solubility and low permeability [3]
  Bioavailability: 77% of drug becomes completely available to its intended biological destination(s) [4]
  Clearance: The drug present in the plasma can be removed from the body at the rate of 8.4 mL/min/kg [5]
  Elimination: 75% of drug is excreted from urine in the unchanged form [3]
  Half-life: The concentration or amount of drug in body reduced by one-half in 2.1 hours [5]
  Unbound Fraction: The unbound fraction of drug in plasma is 0.84% [5]
  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 1.1 L/kg [5]
  Water Solubility: The ability of drug to dissolve in water is measured as 170 mg/mL [3]
• Chemical Identifiers:
  Formula: C10H15N5O3
  IUPAC Name: 2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-1H-purin-6-one
  Canonical SMILES: C1=NC2=C(N1CCC(CO)CO)N=C(NC2=O)N
  InChI: InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h5-6,16-17H,1-4H2,(H3,11,13,14,18)
  InChIKey: JNTOCHDNEULJHD-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 135398748
  ChEBI ID: CHEBI:7956
  CAS Number: 39809-25-1
  DrugBank ID: DB00299
  TTD ID: D07BYK
  VARIDT ID: DR01263

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Herpes simplex virus DNA polymerase UL30 (HSV UL30)	TTIU7X1	DPOL_HHV11	Inhibitor	[6]
Thymidine kinase 1 (TK1)	TTP3QRF	KITH_HUMAN	Inhibitor	[7]

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Organic anion transporter 2 (SLC22A7)	DT0OC1Q	S22A7_HUMAN	Substrate	[8]

Molecular Expression Atlas of This Drug

• The Studied Disease: Human immunodeficiency virus infection
• ICD Disease Classification: 1C62

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Thymidine kinase 1 (TK1)	DTT	TK1	1.14E-03	0.26	0.75
Organic anion transporter 2 (SLC22A7)	DTP	OAT2	7.54E-01	4.87E-02	1.11E-01

References

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