acalabrutinib (calquence) Report issue

Small molecule Orphan Drug FDA Approved FDA Accelerated Approval FDA Priority Review FDA
AACT ChEMBL DrugBank Drugs@FDA MeSH PubChem

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Chemistry

Mol. Mass

465.5065

ALogP

3.31

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC#CC(=O)N1CCC[C@H]1C2=NC(=C3N2C=CN=C3N)C4=CC=C(C=C4)C(=O)NC5=NC=CC=C5
  • InChIKey: WDENQIQQYWYTPO-IBGZPJMESA-N
    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
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3707348   ChEMBL
acalabrutinib

I42748ELQW   NCATS
acalabrutinib *

Acalabrutinib   Wikipedia

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