InChIKey	LIENCHBZNNMNKG-OJFNHCPVSA-N
Compound Name	Nirmatrelvir
Canonical SMILES	CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O)C2(C)C
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	2
Pfam Stratification	Homologous
Avg pChEMBL	8.01
Source	BindingDB;ChEMBL

DrugBank ID	DB16691
Drug Name	Nirmatrelvir
CAS Number	2628280-40-8
Groups	approved investigational
ATC Codes	J05AE30
Description	Nirmatrelvir (PF-07321332) is an orally bioavailable 3C-like protease (3CL<sup>PRO</sup>) inhibitor that is the subject of clinical trial NCT04756531.[L33354] 3CL<sup>PRO</sup> is responsible for cleaving polyproteins 1a and 1ab of SARS-CoV-2.[A234224] Without the activity of the SARS-CoV-2 3CL<sup>...

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Categories: Amides Amino Acids Amino Acids, Branched-Chain Amino Acids, Cyclic Amino Acids, Essential Amino Acids, Peptides, and Proteins Anti-Infective Agents Antiinfectives for Systemic Use Antiviral Agents Antivirals for Systemic Use Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Direct Acting Antivirals Enzyme Inhibitors Experimental Unapproved Treatments for COVID-19 Imino Acids P-glycoprotein inhibitors P-glycoprotein substrates Protease Inhibitors Viral Protease Inhibitors

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Cross-references: BindingDB: 496902 ChEBI: 170007 CHEMBL4802135 ChemSpider: 114826566 Drugs Product Database (DPD): 23691 PDB: ZGW PharmGKB: PA166279883 RxCUI: 2587892 Wikipedia: 3C-like_protease