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Substance Name: Ibrutinib [USAN:INN]
RN: 936563-96-1
UNII: 1X70OSD4VX
InChIKey: XYFPWWZEPKGCCK-GOSISDBHSA-N

Notes

  • A Btk protein inhibitor.
  • A Btk protein inhibitor.

    NCI: An orally bioavailable small-molecule inhibitor of Bruton's tyrosine kinase (BTK) with potential antineoplastic activity. Ibrutinib binds to and inhibits BTK activity, preventing B-cell activation and B-cell-mediated signaling and inhibiting the growth of malignant B cells that overexpress BTK. BTK, a member of the src-related BTK/Tec family of cytoplasmic tyrosine kinases, is required for B cell receptor (BCR) signaling, plays a key role in B-cell maturation, and is overexpressed in a number of B-cell malignancies. Check for active clinical trials or closed clinical trials using this agent. (NCI Thesaurus)
  • NCI: An orally bioavailable small-molecule inhibitor of Bruton's tyrosine kinase (BTK) with potential antineoplastic activity. Ibrutinib binds to and inhibits BTK activity, preventing B-cell activation and B-cell-mediated signaling and inhibiting the growth of malignant B cells that overexpress BTK. BTK, a member of the src-related BTK/Tec family of cytoplasmic tyrosine kinases, is required for B cell receptor (BCR) signaling, plays a key role in B-cell maturation, and is overexpressed in a number of B-cell malignancies. Check for active clinical trials or closed clinical trials using this agent. (NCI Thesaurus)

Molecular Formula

  • C25-H24-N6-O2

Molecular Weight

  • 440.5046
 

Classification Codes

  • Antineoplastic Agents
  • Antiviral (COVID-19)
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Names and Synonyms

Name of Substance

  • Ibrutinib [USAN:INN]
  • PCI 32765
  • PCI-32765

Synonyms

  • 1-((3R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo(3,4-d)pyrimidin-1-yl)piperidin-1- yl)prop-2-en-1-one
  • 2-Propen-1-one, 1-((3R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo(3,4-d)pyrimidin-1-yl)-1-piperidinyl)-
  • CRA 032765
  • CRA-032765
  • HSDB 8260
  • Ibrutinib
  • Imbruvica
  • JNJ 02
  • PC-32765
  • PCI 32765
  • PCI32765
  • UNII-1X70OSD4VX

Registry Numbers

CAS Registry Number

  • 936563-96-1

FDA UNII

  • 1X70OSD4VX

System Generated Number

  • 0936563961

Structure Descriptors

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

Smiles

Nc1ncnc2c1c(nn2[C@@H]3CCCN(C3)C(=O)C=C)c4ccc(Oc5ccccc5)cc4