Send us a Message



Submit Data |  Help |  Video Tutorials |  News |  Publications |  Download |  REST API |  Citing RGD |  Contact   

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
go back to main search page
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



show annotations for term's descendants           Sort by:
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

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19918
    role 19894
      biological role 19892
        biochemical role 19588
          apoptosis inducer 13641
            acalabrutinib 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 19918
    subatomic particle 19916
      composite particle 19916
        hadron 19916
          baryon 19916
            nucleon 19916
              atomic nucleus 19916
                atom 19916
                  main group element atom 19866
                    p-block element atom 19866
                      carbon group element atom 19811
                        carbon atom 19806
                          organic molecular entity 19806
                            organic group 18995
                              organic divalent group 18969
                                organodiyl group 18969
                                  carbonyl group 18922
                                    carbonyl compound 18922
                                      carboxylic acid 18646
                                        carboacyl group 17727
                                          univalent carboacyl group 17727
                                            carbamoyl group 17575
                                              carboxamide 17575
                                                monocarboxylic acid amide 15699
                                                  arenecarboxamide 8255
                                                    benzamides 8255
                                                      acalabrutinib 3
paths to the root