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The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at The data is made available under the Creative Commons License (CC 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.

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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 chr13:85,135,384...85,175,178
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 chr12:9,207,978...9,230,064
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 19844
    role 19820
      biological role 19818
        biochemical role 19525
          apoptosis inducer 13651
            acalabrutinib 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 19844
    subatomic particle 19842
      composite particle 19842
        hadron 19842
          baryon 19842
            nucleon 19809
              atomic nucleus 19842
                atom 19842
                  main group element atom 19792
                    p-block element atom 19792
                      carbon group element atom 19738
                        carbon atom 19734
                          organic molecular entity 19734
                            heteroorganic entity 19486
                              organochalcogen compound 19249
                                organooxygen compound 19167
                                  carbon oxoacid 18634
                                    carboxylic acid 18631
                                      carboacyl group 17703
                                        univalent carboacyl group 17703
                                          carbamoyl group 17554
                                            carboxamide 17554
                                              monocarboxylic acid amide 15685
                                                arenecarboxamide 8255
                                                  benzamides 8255
                                                    acalabrutinib 3
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