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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:dorsomorphin
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Accession:CHEBI:78510 term browser browse the term
Definition:A pyrazolopyrimidine that is pyrazolo[1,5-a]pyrimidine which is substituted at positions 3 and 6 by pyridin-4-yl and p-[2-(piperidin-1-yl)ethoxy]phenyl groups, respectively. It is a potent, selective, reversible, and ATP-competitive inhibitor of AMPK (AMP-activated protein kinase, EC 2.7.11.31) and a selective inhibitor of bone morphogenetic protein (BMP) signaling.
Synonyms:exact_synonym: 6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-3-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
 related_synonym: Formula=C24H25N5O;   InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2;   InChIKey=XHBVYDAKJHETMP-UHFFFAOYSA-N;   SMILES=C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1;   compound C
 alt_id: MESH:C516138
 xref: CAS:866405-64-3;   DrugBank:DB08597;   LINCS:LSM-3207
 xref_mesh: MESH:C516138
 xref: PDBeChem:TAK;   PMID:18026094;   PMID:18682835;   PMID:19996563;   PMID:20691279;   PMID:21384475;   PMID:21543851;   PMID:21988724;   PMID:23526253;   PMID:23936500;   PMID:24280125;   PMID:24396733;   PMID:35782765;   PMID:38500971;   Reaxys:11725482


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    Path 1
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      CHEBI ontology 22279
        role 22263
          biological role 22262
            pharmacological role 19857
              antagonist 17526
                bone morphogenetic protein receptor antagonist 5734
                  dorsomorphin 5734
    Path 2
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      CHEBI ontology 22279
        subatomic particle 22273
          composite particle 22273
            hadron 22273
              baryon 22273
                nucleon 22273
                  atomic nucleus 22273
                    atom 22273
                      main group element atom 22152
                        p-block element atom 22152
                          carbon group element atom 21955
                            carbon atom 21895
                              organic molecular entity 21895
                                organic molecule 21723
                                  organic cyclic compound 21337
                                    organic heterocyclic compound 20345
                                      organic heteropolycyclic compound 19639
                                        organic heterobicyclic compound 18206
                                          pyrazolopyrimidine 5786
                                            dorsomorphin 5734
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