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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 ISO acalabrutinib affects the expression of CRP protein CTD PMID:32503877 NCBI chr13:85,131,635...85,175,179
Ensembl chr13:85,124,977...85,175,178
JBrowse link
G Cyp3a2 cytochrome P450, family 3, subfamily a, polypeptide 2 increases metabolic processing
affects metabolic processing
multiple interactions
ISO 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 chr12:9,207,986...9,230,038
Ensembl chr12:9,015,383...9,285,008
JBrowse link
G Il6 interleukin 6 decreases expression ISO acalabrutinib results in decreased expression of IL6 protein CTD PMID:32503877 NCBI chr 4:5,214,602...5,219,178
Ensembl chr 4:5,213,394...5,219,178
JBrowse link

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  CHEBI ontology 20056
    role 20008
      biological role 20007
        biochemical role 19640
          apoptosis inducer 13408
            acalabrutinib 3
Path 2
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  CHEBI ontology 20056
    subatomic particle 20054
      composite particle 20054
        hadron 20054
          baryon 20054
            nucleon 20054
              atomic nucleus 20054
                atom 20054
                  main group element atom 19956
                    p-block element atom 19956
                      carbon group element atom 19882
                        carbon atom 19875
                          organic molecular entity 19875
                            organic group 18961
                              organic divalent group 18947
                                organodiyl group 18947
                                  carbonyl group 18900
                                    carbonyl compound 18900
                                      carboxylic acid 18594
                                        carboacyl group 17706
                                          univalent carboacyl group 17706
                                            carbamoyl group 17546
                                              carboxamide 17546
                                                monocarboxylic acid amide 15515
                                                  arenecarboxamide 7307
                                                    benzamides 7307
                                                      acalabrutinib 3
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