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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:SCH772984
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Accession:CHEBI:167670 term browser browse the term
Definition:A member of the class of indazoles that is 1H-indazole substituted by pyridin-4-yl and {[(3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidin-3-yl]carbonyl}amino groups at positions 3 and 5, respectively. It is a potent inhibitor of mitogen-activated protein kinases ERK1 and ERK2 (IC50 = 4 and 1 nM, respectively) that exhibits anti-cancer properties.
Synonyms:exact_synonym: (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide
 related_synonym: (3R)-1-[2-oxo-2-[4-[4-(2-pyrimidinyl)phenyl]-1-piperazinyl]ethyl]-N-[3-(4-pyridinyl)-1H-indazol-5-yl]-3-pyrrolidinecarboxamide;   Formula=C33H33N9O2;   InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1;   InChIKey=HDAJDNHIBCDLQF-RUZDIDTESA-N;   SCH 772984;   SMILES=[H][C@]1(CCN(CC(=O)N2CCN(CC2)C2=CC=C(C=C2)C2=NC=CC=N2)C1)C(=O)NC1=CC2=C(NN=C2C2=CC=NC=C2)C=C1
 xref: CAS:942183-80-4;   LINCS:LSM-45224
 xref_mesh: MESH:C587178
 xref: PDBeChem:38Z;   PDBeChem:F3Z;   PMID:23847348;   PMID:25142146;   PMID:25195011;   PMID:26832798;   PMID:27275127;   PMID:28781955;   PMID:29193645;   PMID:29262554;   PMID:29775310;   PMID:30915617;   PMID:31055884;   PMID:31311868;   PMID:32652503;   PMID:32821122;   PMID:33105944;   PMID:33151174;   PMID:33231464;   PMID:33258389;   PMID:33595872;   PMID:33692846;   PMID:33706642

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  CHEBI ontology 0
    role 0
      biological role 0
        pharmacological role 0
          analgesic 0
            SCH772984 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      carboacyl group 0
                                        univalent carboacyl group 0
                                          carbamoyl group 0
                                            carboxamide 0
                                              monocarboxylic acid amide 0
                                                pyrrolidinecarboxamide 0
                                                  SCH772984 0
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