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nirmatrelvir - Ontology Report - Rat Genome Database

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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:nirmatrelvir
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Accession:CHEBI:170007 term browser browse the term
Definition:An azabicyclohexane that is (1R,5S)-3-azabicyclo[3.1.0]hexane substituted by {(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}aminoacyl, 3-methyl-N-(trifluoroacetyl)-L-valinamide, methyl and methyl groups at positions 2S, 3, 6 and 6, respectively. It is the first orally administered inhibitor of SARS-CoV-2 main protease developed by Pfizer and used in combination with ritonavir for the treatment of COVID-19.
Synonyms:exact_synonym: (1R,2S,5S)-N-{(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
 related_synonym: Formula=C23H32F3N5O4;   InChI=1S/C23H32F3N5O4/c1-21(2,3)16(30-20(35)23(24,25)26)19(34)31-10-13-14(22(13,4)5)15(31)18(33)29-12(9-27)8-11-6-7-28-17(11)32/h11-16H,6-8,10H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)/t11-,12-,13-,14-,15-,16+/m0/s1;   InChIKey=LIENCHBZNNMNKG-OJFNHCPVSA-N;   PF 07321332;   PF07321332;   SMILES=[H][C@]12CN([C@H](C(=O)N[C@@H](C[C@]3([H])CCNC3=O)C#N)[C@@]1([H])C2(C)C)C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)(C)C;   nirmatrelvirum
 alt_id: CHEBI:192699
 xref: CAS:2628280-40-8;   DrugBank:DB16691;   KEGG:D12244
 xref_mesh: MESH:C000718217
 xref: PMCID:PMC9232762;   PMCID:PMC9264725;   PMID:34687004;   PMID:35073029;   PMID:35153195;   PMID:35182772;   PMID:35183067;   PMID:35203821;   PMID:35305258;   PMID:35335157;   PMID:35389231;   PMID:35425393;   PMID:35461811;   PMID:35477935;   PMID:35505633;   PMID:35640480;   PMID:35678736;   PMID:35702394;   PMID:35845944;   PMID:36276807;   PMID:36574296;   PMID:36965419;   PMID:37074087;   PMID:37402789;   PMID:37510996;   PMID:37947496;   PMID:38257765;   PMID:38399271;   PMID:38432955;   PMID:38553607;   Wikipedia:Nirmatrelvir

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Path 1
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  CHEBI ontology 20856
    role 20816
      biological role 20814
        antimicrobial agent 18575
          antiviral agent 11451
            anticoronaviral agent 10065
              nirmatrelvir 0
                Paxlovid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20856
    subatomic particle 20854
      composite particle 20854
        hadron 20854
          baryon 20854
            nucleon 20854
              atomic nucleus 20854
                atom 20854
                  main group element atom 20777
                    p-block element atom 20777
                      carbon group element atom 20710
                        carbon atom 20704
                          organic molecular entity 20704
                            heteroorganic entity 20215
                              organochalcogen compound 19902
                                organooxygen compound 19804
                                  carbon oxoacid 19150
                                    carboxylic acid 19147
                                      carboacyl group 18082
                                        univalent carboacyl group 18082
                                          carbamoyl group 17918
                                            carboxamide 17918
                                              lactam 8434
                                                gamma-lactam 6677
                                                  pyrrolidin-2-ones 171
                                                    nirmatrelvir 0
                                                      Paxlovid 0
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