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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:crenolanib
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Accession:CHEBI:145365 term browser browse the term
Definition:A member of the class of benzimidazoles that is 1H-benzimidazole which is substituted by a 8-(4-aminopiperidin-1-yl)quinolin-2-yl group at position 1 and by a (3-methyloxetan-3-yl)methoxy group at position 5. It is an inhibitor of type III tyrosine kinases, PDGFRalpha/beta and FLT3 (IC50 of 11, 3.2, and 4 nM). Currently under clinical development for the treatment of acute myeloid leukemia.
Synonyms:exact_synonym: 1-(2-{5-[(3-methyloxetan-3-yl)methoxy]-1H-benzimidazol-1-yl}quinolin-8-yl)piperidin-4-amine
 related_synonym: 1-(2-(5-((3-methyloxetan-3-yl)methoxy)-1H-benzo-[d]imidazol-1-yl)quinolin-8-yl)piperidin-4-amine;   1-(2-{5-[(3-methyloxetan-3-yl)methoxy]-1H-1,3-benzodiazol-1-yl}quinolin-8-yl)piperidin-4-amine;   1-[2-[5-[(3-methyl-3-oxetanyl)methoxy]-1-benzimidazolyl]-8-quinolyl]-4-piperidinamine;   1-[2-[5-[(3-methyl-3-oxetanyl)methoxy]-1H-benzimidazol-1-yl]-8-quinolinyl]-4-piperidinamine;   ARO-002;   CP-868,596;   CP-868596;   CP868569;   Formula=C26H29N5O2;   InChI=1S/C26H29N5O2/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30/h2-8,13,17,19H,9-12,14-16,27H2,1H3;   InChIKey=DYNHJHQFHQTFTP-UHFFFAOYSA-N;   SMILES=C1=C2C=CC(=NC2=C(C=C1)N3CCC(CC3)N)N4C=5C=CC(=CC5N=C4)OCC6(COC6)C;   crenolanibum
 xref: CAS:670220-88-9;   DrugBank:DB11832;   KEGG:D10102;   PDBeChem:6T2;   PMID:19738123;   PMID:20959830;   PMID:22745105;   PMID:23644495;   PMID:24046014;   PMID:24132921;   PMID:24227820;   PMID:24263951;   PMID:24623852;   PMID:25328409;   PMID:25597754;   PMID:28433542;   PMID:28943249;   PMID:29137311;   PMID:29191878;   PMID:29312564;   PMID:29472720;   PMID:30651561;   PMID:30942519;   PMID:31235865;   PMID:31309543;   Wikipedia:Crenolanib


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  CHEBI ontology 22208
    role 22193
      biological role 22192
        biochemical role 21468
          apoptosis inducer 13789
            crenolanib 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22208
    subatomic particle 22200
      composite particle 22200
        hadron 22200
          baryon 22200
            nucleon 22200
              atomic nucleus 22200
                atom 22200
                  main group element atom 22134
                    main group molecular entity 22134
                      s-block molecular entity 21732
                        hydrogen molecular entity 21649
                          hydrides 20785
                            inorganic hydride 18709
                              pnictogen hydride 18689
                                nitrogen hydride 18558
                                  azane 18462
                                    ammonia 18461
                                      organic amino compound 18461
                                        tertiary amino compound 10307
                                          crenolanib 0
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