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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:PF-07304814
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Accession:CHEBI:173073 term browser browse the term
Definition:An indolecarboxamide resulting from the formal condensation of the carboxy group of 4-methoxy-1H-indole-2-carboxylic acid with the primary amino group of N-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(phosphonooxy)butan-2-yl]-L-leucinamide. It is the phosphate prodrug of PF-00835231, an anticoronaviral agent.
Synonyms:exact_synonym: (3S)-3-({N-[(4-methoxy-1H-indol-2-yl)carbonyl]-L-leucyl}amino)-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl dihydrogen phosphate
 related_synonym: (3S)-3-{[(2S)-2-{[(4-methoxy-1H-indol-2-yl)carbonyl]amino}-4-methylpentanoyl]amino}-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl dihydrogen phosphate;   Formula=C24H33N4O9P;   InChI=1S/C24H33N4O9P/c1-13(2)9-18(28-24(32)19-11-15-16(26-19)5-4-6-21(15)36-3)23(31)27-17(10-14-7-8-25-22(14)30)20(29)12-37-38(33,34)35/h4-6,11,13-14,17-18,26H,7-10,12H2,1-3H3,(H,25,30)(H,27,31)(H,28,32)(H2,33,34,35)/t14-,17-,18-/m0/s1;   InChIKey=FQKALOFOWPDTED-WBAXXEDZSA-N;   PF07304814;   SMILES=[H][C@@]1(C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C2=CC3=C(N2)C=CC=C3OC)C(=O)COP(O)(O)=O)CCNC1=O
 xref: DrugBank:DB16514;   PMCID:PMC8075814;   PMID:32935104


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  CHEBI ontology 20845
    role 20805
      application 20606
        pro-agent 11701
          prodrug 11444
            PF-07304814 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20845
    subatomic particle 20843
      composite particle 20843
        hadron 20843
          baryon 20843
            nucleon 20843
              atomic nucleus 20843
                atom 20843
                  main group element atom 20766
                    main group molecular entity 20766
                      s-block molecular entity 20561
                        hydrogen molecular entity 20545
                          hydrides 19679
                            inorganic hydride 18572
                              pnictogen hydride 18558
                                nitrogen hydride 18469
                                  azane 18229
                                    ammonia 18228
                                      organic amino compound 18228
                                        amino acid 16314
                                          alpha-amino acid 14201
                                            L-alpha-amino acid 12350
                                              pyruvate family amino acid 340
                                                L-leucine 180
                                                  L-leucine derivative 117
                                                    PF-00835231 0
                                                      PF-07304814 0
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