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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:brivanib alaninate
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Accession:CHEBI:167656 term browser browse the term
Definition:A carboxylic ester resulting from the formal condensation of the carboxy group of L-alanine with the hydroxy group of brivanib. It is a prodrug of brivanib (BMS-540215), a potent oral dual inhibitor of VEGFR-2 and FGFR-1 (IC50 of 25 nM and 148 nM, respectively) and was in development for the treatment of hepatocellular and colon carcinomas.
Synonyms:exact_synonym: (2R)-1-({4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl}oxy)propan-2-yl L-alaninate
 related_synonym: (1R,2S)-2-aminopropionic acid 2-[4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yloxy]-1-methylethyl ester;   (2R)-1-({4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl}oxy)propan-2-yl (2S)-2-aminopropanoate;   BMS 582664;   BMS582664;   Formula=C22H24FN5O4;   InChI=1S/C22H24FN5O4/c1-11-7-15-16(27-11)5-6-17(19(15)23)32-21-20-13(3)18(8-28(20)26-10-25-21)30-9-12(2)31-22(29)14(4)24/h5-8,10,12,14,27H,9,24H2,1-4H3/t12-,14+/m1/s1;   InChIKey=LTEJRLHKIYCEOX-OCCSQVGLSA-N;   SMILES=C[C@H](COC1=CN2N=CN=C(OC3=C(F)C4=C(NC(C)=C4)C=C3)C2=C1C)OC(=O)[C@H](C)N;   alaninate de brivanib;   alaninati brivanibum;   alaninato de brivanib
 xref: CAS:649735-63-7;   Chemspider:9330033;   DrugBank:DB11865;   KEGG:D08878;   PMID:16570908;   PMID:17638901;   PMID:18288793;   PMID:18815076;   PMID:18829493;   PMID:19396600;   PMID:20024612;   PMID:20303261;   PMID:21115896;   PMID:21289073;   PMID:21391890;   PMID:21629245;   PMID:21659627;   PMID:22189636;   PMID:22983304;   PMID:23030483;   PMID:23690424;   PMID:24325631;   PMID:24780101;   PMID:25470221;   PMID:25724158;   PMID:26852852;   PMID:27771049;   PMID:30855507;   Wikipedia:Brivanib_alaninate


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19786
    role 19732
      application 19423
        pro-agent 10100
          prodrug 9905
            brivanib alaninate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19786
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19675
                    p-block element atom 19675
                      carbon group element atom 19596
                        carbon atom 19586
                          organic molecular entity 19586
                            organic group 18631
                              organic divalent group 18622
                                organodiyl group 18622
                                  carbonyl group 18537
                                    carbonyl compound 18537
                                      carboxylic acid 18215
                                        monocarboxylic acid 17609
                                          fatty acid 16010
                                            saturated fatty acid 15986
                                              propionic acid 3684
                                                alanine 108
                                                  L-alanine 100
                                                    L-alanine derivative 98
                                                      brivanib alaninate 0
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