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acalabrutinib

CHEBI:CHEBI_167707

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.

Chemical Information

Molecular Formula
C26H23N7O2
Molecular Mass
465.517
Charge
0
SMILES
[H][C@]1(CCCN1C(=O)C#CC)C1=NC(=C2N1C=CN=C2N)C1=CC=C(C=C1)C(=O)NC1=CC=CC=N1
InChI
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

Alternative Names

  • (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
  • 4-{8-amino-3-[(2S)-1-(but-2-ynoyl)pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl}-N-(pyridin-2-yl)benzamide
  • acalabrutinib
  • acalabrutinibum
  • ACP-196
  • Calquence

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

DRON_00010000
1986808
oboInOwl#hasDbXref
Wikipedia:Acalabrutinib
core#notation
CHEBI:167707

Additional References

Wikipedia:Acalabrutinib

🔍 Click on any linked disease name to learn more about the conditions this medication is used to treat, or explore related drug classifications for more information about similar medications.

Additional Attributes

oboInOwl#hasOBONamespace
chebi_ontology
DRON_00010000
1986808
oboInOwl#hasDbXref
Wikipedia:Acalabrutinib
oboInOwl#id
CHEBI:167707
core#notation
CHEBI:167707
RO_0000087
http://purl.obolibrary.org/obo/CHEBI_76617
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
has_treatment
http://purl.obolibrary.org/obo/DOID_6354
rdf-schema#domain
https://w3id.org/def/predibionto#has_side_effect8144
owl#annotatedSource
t127042
owl#someValuesFrom
t3933947