Nirmatrelvir

URI: https://gptkb.org/entity/Nirmatrelvir

GPTKB entity

Predicate	Object
gptkbp:instanceOf	gptkb:chemical_compound antiviral drug
gptkbp:administeredBy	gptkb:ritonavir
gptkbp:approvalYear	2021
gptkbp:approvedBy	gptkb:FDA
gptkbp:ATCCode	J05AX
gptkbp:CASNumber	gptkb:2628280-40-8
gptkbp:component	gptkb:Paxlovid
gptkbp:developedBy	gptkb:Pfizer
gptkbp:drugClass	antiviral
gptkbp:eliminationHalfLife	6 hours
gptkbp:excretion	urine
gptkbp:hasMolecularFormula	C23H32F3N5O4
gptkbp:hasSMILES	CC1=NC(=O)C(CN(C1)C2=NC=CC(=N2)C3=CC=CC=C3)NC(=O)C4CCCN4C(=O)C(C(C)C)NC(=O)C(C)(C)C
https://www.w3.org/2000/01/rdf-schema#label	Nirmatrelvir
gptkbp:IUPACName	(1R,2S,5S)-N-((1S)-1-cyano-2-((3S)-2-oxopyrrolidin-3-yl)ethyl)-3-((2S)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
gptkbp:KEGGID	D12372
gptkbp:legalStatus	prescription only
gptkbp:mechanismOfAction	protease inhibitor
gptkbp:metabolism	liver
gptkbp:molecularWeight	499.5 g/mol
gptkbp:pregnancyCategory	Not assigned (US)
gptkbp:PubChem_CID	gptkb:CHEMBL4297599 155903259 103083417 DB16357
gptkbp:routeOfAdministration	oral
gptkbp:sideEffect	diarrhea hypertension myalgia dysgeusia
gptkbp:synonym	gptkb:PF-07321332
gptkbp:target	SARS-CoV-2 main protease (Mpro)
gptkbp:UNII	QKJ1C6GWSN
gptkbp:usedFor	treatment of COVID-19
gptkbp:bfsParent	gptkb:PF-07321332 gptkb:SARS-CoV-2_main_protease gptkb:142217-69-4 gptkb:1369773-39-6
gptkbp:bfsLayer	7