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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:acalabrutinib
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Accession:CHEBI:167707 term browser browse the term
Definition:A member of the class of imidazopyrazines that is imidazo[1,5-a]pyrazine substituted by 4-(pyridin-2-ylcarbamoyl)phenyl, (2S)-1-(but-2-ynoyl)pyrrolidin-2-yl, and amino groups at positions 1, 3 and 8, respectively. It is an irreversible second-generation Bruton's tyrosine kinase (BTK) inhibitor that is approved by the FDA for the treatment of adult patients with mantle cell lymphoma (MCL) who have received at least one prior therapy.
Synonyms:exact_synonym: 4-{8-amino-3-[(2S)-1-(but-2-ynoyl)pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl}-N-(pyridin-2-yl)benzamide
 related_synonym: (S)-4-(8-amino-3-(1-(but-2-ynoyl)pyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl)-N-(pyridin-2-yl)benzamide;   4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(2-pyridyl)benzamide;   ACP-196;   Calquence;   Formula=C26H23N7O2;   InChI=1S/C26H23N7O2/c1-2-6-21(34)32-15-5-7-19(32)25-31-22(23-24(27)29-14-16-33(23)25)17-9-11-18(12-10-17)26(35)30-20-8-3-4-13-28-20/h3-4,8-14,16,19H,5,7,15H2,1H3,(H2,27,29)(H,28,30,35)/t19-/m0/s1;   InChIKey=WDENQIQQYWYTPO-IBGZPJMESA-N;   SMILES=[H][C@]1(CCCN1C(=O)C#CC)C1=NC(=C2N1C=CN=C2N)C1=CC=C(C=C1)C(=O)NC1=CC=CC=N1;   acalabrutinibum
 xref: CAS:1420477-60-6;   Chemspider:36764951;   DrugBank:DB11703;   Drug_Central:5260;   KEGG:D10893
 xref_mesh: MESH:C000604908
 xref: PMID:26641137;   PMID:26957112;   PMID:28642301;   PMID:28882879;   PMID:30664965;   PMID:30681658;   PMID:30967367;   PMID:31306750;   PMID:31355927;   PMID:31686856;   PMID:31738609;   PMID:31866282;   PMID:31915195;   PMID:32202637;   PMID:32256115;   PMID:32305083;   PMID:32358576;   PMID:32675912;   PMID:32678359;   PMID:32757302;   PMID:33032842;   PMID:33216986;   PMID:33322571;   PMID:33427570;   PMID:33441177;   PMID:33486852;   PMID:33491779;   PMID:33526860;   PMID:33613932;   PMID:33728735;   PMID:33730844;   Wikipedia:Acalabrutinib


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acalabrutinib term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G CRP C-reactive protein affects expression EXP acalabrutinib affects the expression of CRP protein CTD PMID:32503877 NCBI chr 1:159,712,289...159,714,589
Ensembl chr 1:159,712,289...159,714,589 		JBrowse link
G CYP3A4 cytochrome P450 family 3 subfamily A member 4 increases metabolic processing
affects metabolic processing
multiple interactions		 EXP CYP3A4 protein results in increased metabolism of acalabrutinib
CYP3A4 protein alternative form affects the metabolism of acalabrutinib
Ketoconazole affects the reaction [CYP3A4 protein alternative form affects the metabolism of acalabrutinib]		 CTD PMID:34153224 NCBI chr 7:99,756,967...99,784,184
Ensembl chr 7:99,756,960...99,784,248 		JBrowse link
G IL6 interleukin 6 decreases expression EXP acalabrutinib results in decreased expression of IL6 protein CTD PMID:32503877 NCBI chr 7:22,727,200...22,731,998
Ensembl chr 7:22,725,884...22,732,002 		JBrowse link
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Term Annotations click to browse term
  CHEBI ontology 26050
    role 25966
      biological role 25945
        biochemical role 25178
          apoptosis inducer 15010
            acalabrutinib 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 26050
    subatomic particle 26025
      composite particle 26025
        hadron 26025
          baryon 26025
            nucleon 26025
              atomic nucleus 26025
                atom 26025
                  main group element atom 25850
                    p-block element atom 25850
                      carbon group element atom 25447
                        carbon atom 25405
                          organic molecular entity 25405
                            heteroorganic entity 24782
                              organochalcogen compound 24395
                                organooxygen compound 24072
                                  carbon oxoacid 22773
                                    carboxylic acid 22753
                                      carboacyl group 20068
                                        univalent carboacyl group 20068
                                          carbamoyl group 19582
                                            carboxamide 19582
                                              monocarboxylic acid amide 16976
                                                arenecarboxamide 8999
                                                  benzamides 8999
                                                    acalabrutinib 3
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