Discuss This Drug

Ibrutinib

CHEBI:CHEBI_76612

Definition

A member of the class of acrylamides that is (3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine in which the piperidine nitrogen is replaced by an acryloyl group. A selective and covalent inhibitor of the enzyme Bruton's tyrosine kinase, it is used for treatment of B-cell malignancies.

Chemical Information

Molecular Formula
C25H24N6O2
Molecular Mass
440.49710
Charge
0
SMILES
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
InChI
InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1
InChIKey
XYFPWWZEPKGCCK-GOSISDBHSA-N

Alternative Names

  • 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one
  • ibrutinib
  • ibrutinib
  • ibrutinibum
  • IMBRUVICA
  • PCI 32765
  • PCI-32765
  • PCI32765

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
1442981
oboInOwl#hasDbXref
Wikipedia:Ibrutinib
core#notation
CHEBI:76612

Additional References

Wikipedia:Ibrutinib

🔍 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
1442981
oboInOwl#hasDbXref
Wikipedia:Ibrutinib
oboInOwl#id
CHEBI:76612
core#notation
CHEBI:76612
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_effect34718
owl#annotatedSource
t290465
owl#someValuesFrom
t3897960