Details of the Drug

General Information of Drug (ID: DMOQK8Z)

Drug Name

Arbidol

Synonyms

Umifenovir; Arbidole; MC-101

Indication

Disease Entry	ICD 11	Status	REF
Virus infection	1A24-1D9Z	Approved	[1]
Influenza virus infection	1E30-1E32	Phase 4	[2]
Coronavirus Disease 2019 (COVID-19)	1D6Y	Phase 2	[3]
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Affected Organisms

SARS-CoV-2Herpes simplex virusHepatitis C Virus (HCV)Hepatitis B virusZika virusLassa mammarenavirusEbolavirusReovirus spp.Chikungunya virusHantaan orthohantavirusCoxsackievirus B5

ATC Code

J05AX13: Arbidol

J05AX: Other antivirals

J05A: DIRECT ACTING ANTIVIRALS

J05: ANTIVIRALS FOR SYSTEMIC USE

J: ANTIINFECTIVES FOR SYSTEMIC USE

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

477.4

Logarithm of the Partition Coefficient (xlogp)

4.4

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Absorption AUC: The area under the plot of plasma concentration (AUC) of drug is 2200 mcgh/L [4]
Absorption Cmax: The maximum plasma concentration (Cmax) of drug is 415-467 mcg/L [4]
Absorption Tmax: The time to maximum plasma concentration (Tmax) is 0.65-1.8 h [4]
Clearance: The apparent oral clearance of drug is 99 +/- 34 L/h [4]
Elimination: Approximately 40% of an ingested dose is excreted unchanged, of which 38.9% is excreted in the bile and 0.12% excreted through the kidneys [5]
Half-life: The concentration or amount of drug in body reduced by one-half in 17 - 21 hours [4]
Metabolism: The drug is metabolized via the hepatic [4]

Chemical Identifiers

Formula: C22H25BrN2O3S
IUPAC Name: ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate
Canonical SMILES: CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)CSC3=CC=CC=C3
InChI: InChI=1S/C22H25BrN2O3S/c1-5-28-22(27)20-18(13-29-14-9-7-6-8-10-14)25(4)17-11-16(23)21(26)15(19(17)20)12-24(2)3/h6-11,26H,5,12-13H2,1-4H3
InChIKey: KCFYEAOKVJSACF-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 131411
ChEBI ID: CHEBI:134730
CAS Number: 131707-25-0
UNII: 93M09WW4RU
DrugBank ID: DB13609
TTD ID: D02VIT

Combinatorial Drugs (CBD)

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Repurposed Drugs (RPD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Influenza Hemagglutinin (Influ HA)	TTF4CAM	HEMA_I34A1	Inhibitor	[6]

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Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2	ClinicalTrials.gov (NCT01651663) A Study of Arbidol (Umifenovir) for Treatment and Prophylaxis of Influenza and Common Cold (ARBITR)
3	ClinicalTrials.gov (NCT04260594) Clinical Study of Arbidol Hydrochloride Tablets in the Treatment of Pneumonia Caused by Novel Coronavirus
4	Pharmacokinetics, metabolism, and excretion of the antiviral drug arbidol in humans. Antimicrob Agents Chemother. 2013 Apr;57(4):1743-55. doi: 10.1128/AAC.02282-12. Epub 2013 Jan 28.
5	Liu MY, Wang S, Yao WF, Wu HZ, Meng SN, Wei MJ: Pharmacokinetic properties and bioequivalence of two formulations of arbidol: an open-label, single-dose, randomized-sequence, two-period crossover study in healthy Chinese male volunteers. Clin Ther. 2009 Apr;31(4):784-92. doi: 10.1016/j.clinthera.2009.04.016.
6	Pharmacokinetic properties and bioequivalence of two formulations of arbidol: an open-label, single-dose, randomized-sequence, two-period crossover study in healthy Chinese male volunteers. Clin Ther. 2009 Apr;31(4):784-92.