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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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Term Annotations click to browse term
  CHEBI ontology 26041
    role 25957
      application 25179
        pro-agent 12063
          prodrug 11742
            brivanib alaninate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26041
    subatomic particle 26016
      composite particle 26016
        hadron 26016
          baryon 26016
            nucleon 26016
              atomic nucleus 26016
                atom 26016
                  main group element atom 25841
                    p-block element atom 25841
                      carbon group element atom 25441
                        carbon atom 25399
                          organic molecular entity 25399
                            heteroorganic entity 24773
                              organochalcogen compound 24384
                                organooxygen compound 24061
                                  carbon oxoacid 22757
                                    carboxylic acid 22737
                                      monocarboxylic acid 21735
                                        fatty acid 19000
                                          saturated fatty acid 18709
                                            propionic acid 4402
                                              alanine 116
                                                L-alanine 107
                                                  L-alanine derivative 105
                                                    brivanib alaninate 0
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