ibrutinib (imbruvica) Report issue

Small molecule Orphan Drug FDA Approved FDA First in Class Fast Track FDA Accelerated Approval FDA Priority Review FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

440.4971

ALogP

4.22

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: NC1=C2C(=NC=N1)N(N=C2C3=CC=C(OC4=CC=CC=C4)C=C3)[C@@H]5CCCN(C5)C(=O)C=C
  • InChIKey: XYFPWWZEPKGCCK-GOSISDBHSA-N
    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
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1873475   ChEMBL
ibrutinib

1X70OSD4VX   NCATS
ibrutinib *

Ibrutinib   Wikipedia

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