Details of the Drug

General Information of Drug (ID: DMBFZ6L)

Drug Name

Remdesivir

Synonyms

L-Alanine, N-((S)-hydroxyphenoxyp; RWWYLEGWBNMMLJ-YSOARWBDSA-N; Remdesivir [USAN]; 1809249-37-3; 3QKI37EEHE; AKOS032946252; SB19838; SCHEMBL17712225; UNII-3QKI37EEHE

Indication

Disease Entry	ICD 11	Status	REF
Coronavirus Disease 2019 (COVID-19)	1D6Y	Approved	[1]
Ebola virus infection	1D60.0	Phase 1	[2]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 3

Molecular Weight (mw)

602.6

Topological Polar Surface Area (xlogp)

1.9

Rotatable Bond Count (rotbonds)

14

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

13

Chemical Identifiers

Formula: C27H35N6O8P
IUPAC Name: 2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
Canonical SMILES: CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1[C@H]([C@H]([C@](O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O)OC4=CC=CC=C4
InChI: InChI=1S/C27H35N6O8P/c1-4-18(5-2)13-38-26(36)17(3)32-42(37,41-19-9-7-6-8-10-19)39-14-21-23(34)24(35)27(15-28,40-21)22-12-11-20-25(29)30-16-31-33(20)22/h6-12,16-18,21,23-24,34-35H,4-5,13-14H2,1-3H3,(H,32,37)(H2,29,30,31)/t17-,21+,23+,24+,27-,42-/m0/s1
InChIKey: RWWYLEGWBNMMLJ-YSOARWBDSA-N

Cross-matching ID

PubChem CID: 121304016
ChEBI ID: CHEBI:145994
CAS Number: 1809249-37-3
DrugBank ID: DB14761
TTD ID: D01ICI
ACDINA ID: D01380

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	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from Remdesivir (Comorbidity)

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Givosiran	DM5PFIJ	Moderate	Increased risk of hepatotoxicity by the combination of Remdesivir and Givosiran.	Inborn porphyrin/heme metabolism error [5C58]	[8]
Selpercatinib	DMZR15V	Moderate	Increased risk of hepatotoxicity by the combination of Remdesivir and Selpercatinib.	Lung cancer [2C25]	[8]
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Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG

DIG Name	DIG ID	PubChem CID	Functional Classification
Hydrochloric acid	E00015	313	Acidulant
Sodium hydroxide	E00234	14798	Alkalizing agent
Water	E00035	962	Solvent
Betadex sulfobutyl ether sodium	E00589	66577045	Solubilizing agent
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Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Remdesivir 100mg/20ml solution	100mg/20ml	Solution	Intravenous
Remdesivir 100mg/vial powder	100mg/vial	Powder	Intravenous

Jump to Detail Pharmaceutical Formulation Page of This Drug

References

1	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2020
2	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3	Remdesivir and chloroquine effectively inhibit the recently emerged novel coronavirus (2019-nCoV) in vitro. Cell Res. 2020 Mar;30(3):269-271.
4	Favipiravir versus Arbidol for COVID-19: A Randomized Clinical Trial. medRxiv. Posted April 15, 2020.
5	Therapeutic options for the 2019 novel coronavirus (2019-nCoV). Nat Rev Drug Discov. 2020 Mar;19(3):149-150.
6	BioCryst Begins Clinical Trial with Galidesivir for Treatment of Patients with COVID-19
7	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
8	Cerner Multum, Inc. "Australian Product Information.".