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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:CM-272
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Accession:CHEBI:229970 term browser browse the term
Definition:A member of the class of aminoquinolines that is is quinoline substituted by 5-methylfuran-2-yl, (1-methylpiperidin-4-yl)amino, methoxy, and 3-(pyrrolidin-1-yl)propoxy groups at positions 2, 4, 6 and 7, respectively. It is a dual G9a/DNA methyltransferases inhibitor with antitumor activity. It inhibits G9a, DNMT1, DNMT3A, DNMT3B and GLP (IC50 = 8 nM, 382 nM, 85 nM, 1200 nM and 2 nM, respectively).
Synonyms:exact_synonym: 6-methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-[3-(pyrrolidin-1-yl)propoxy]quinolin-4-amine
 related_synonym: 6-methoxy-2-(5-methyl-2-furanyl)-N-(1-methyl-4-piperidinyl)-7-[3-(1-pyrrolidinyl)propoxy]-4-quinolinamine;   CM272;   Formula=C28H38N4O3;   InChI=1S/C28H38N4O3/c1-20-7-8-26(35-20)25-18-23(29-21-9-14-31(2)15-10-21)22-17-27(33-3)28(19-24(22)30-25)34-16-6-13-32-11-4-5-12-32/h7-8,17-19,21H,4-6,9-16H2,1-3H3,(H,29,30);   InChIKey=RLQLKZTYUYIWDB-UHFFFAOYSA-N;   SMILES=COC1=C(OCCCN2CCCC2)C=C2N=C(C=C(NC3CCN(C)CC3)C2=C1)C1=CC=C(C)O1
 xref: CAS:1846570-31-7;   PMID:28548080;   PMID:29953809;   PMID:30014490;   PMID:31270502;   PMID:32327527;   PMID:33222246;   PMID:33661013;   PMID:35324190;   PMID:35483199;   PMID:37356504;   PMID:38064417;   PMID:38285887


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  CHEBI ontology 19867
    role 19837
      biological role 19835
        biochemical role 19552
          ferroptosis inducer 15741
            CM-272 0
Path 2
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  CHEBI ontology 19867
    subatomic particle 19865
      composite particle 19865
        hadron 19865
          baryon 19865
            nucleon 19865
              atomic nucleus 19865
                atom 19865
                  main group element atom 19803
                    main group molecular entity 19803
                      s-block molecular entity 19638
                        hydrogen molecular entity 19620
                          hydrides 19141
                            inorganic hydride 18156
                              pnictogen hydride 18146
                                nitrogen hydride 18059
                                  azane 17868
                                    ammonia 17867
                                      organic amino compound 17867
                                        tertiary amino compound 10151
                                          N-alkylpyrrolidine 1236
                                            CM-272 0
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