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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 19860
    role 19832
      application 19675
        pro-agent 11550
          prodrug 11310
            brivanib alaninate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19860
    subatomic particle 19858
      composite particle 19858
        hadron 19858
          baryon 19858
            nucleon 19858
              atomic nucleus 19858
                atom 19858
                  main group element atom 19804
                    p-block element atom 19804
                      carbon group element atom 19745
                        carbon atom 19741
                          organic molecular entity 19741
                            heteroorganic entity 19494
                              organochalcogen compound 19257
                                organooxygen compound 19173
                                  carbon oxoacid 18641
                                    carboxylic acid 18638
                                      monocarboxylic acid 18012
                                        fatty acid 16843
                                          saturated fatty acid 16563
                                            propionic acid 3873
                                              alanine 116
                                                L-alanine 107
                                                  L-alanine derivative 105
                                                    brivanib alaninate 0
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