Details of the Drug

General Information of Drug (ID: DMZ3WPN)

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
Recurrent herpes labialis	1F00.01	Approved	[1]
Coronavirus Disease 2019 (COVID-19)	1D6Y	Investigative	[2], [3]

Therapeutic Class

Antiviral Agents

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

253.26

Topological Polar Surface Area (xlogp)

-1.9

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Half-life: The concentration or amount of drug in body reduced by one-half in 2 hours [4]
Metabolism: The drug is metabolized via the hepatic [5]

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: D05LLH

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
COVID-19 RNA-directed RNA polymerase (RdRp)	TTV1095	R1AB_SARS2 (4393-5324)	Inhibitor	[2], [3]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2	Remdesivir and chloroquine effectively inhibit the recently emerged novel coronavirus (2019-nCoV) in vitro. Cell Res. 2020 Mar;30(3):269-271.
3	Suramin, Penciclovir and Anidulafungin bind nsp12, which governs the RNA-dependent-RNA polymerase activity of SARS-CoV-2, with higher interaction energy than Remdesivir, indicating potential in the treatment of Covid-19 infection. April.21.2020. Doi: 10.31219/osf.io/urxwh
4	Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
5	FDA approval: ado-trastuzumab emtansine for the treatment of patients with HER2-positive metastatic breast cancer. Clin Cancer Res. 2014 Sep 1;20(17):4436-41.
6	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2020
7	Favipiravir versus Arbidol for COVID-19: A Randomized Clinical Trial. medRxiv. Posted April 15, 2020.
8	Therapeutic options for the 2019 novel coronavirus (2019-nCoV). Nat Rev Drug Discov. 2020 Mar;19(3):149-150.
9	BioCryst Begins Clinical Trial with Galidesivir for Treatment of Patients with COVID-19