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]
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) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
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
TTD ID
D02VIT
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

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]
Molecular Interaction Atlas (MIA) 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 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.