brigatinib (alunbrig) Report issue

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

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Chemistry

Mol. Mass

584.092

ALogP

5.09

Rule of 5

No

Rule of 3

No
Details
  • SMILES: COC1=C(NC2=NC=C(Cl)C(NC3=CC=CC=C3P(C)(C)=O)=N2)C=CC(=C1)N4CCC(CC4)N5CCN(C)CC5
  • InChIKey: AILRADAXUVEEIR-UHFFFAOYSA-N
    1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3545311   ChEMBL
brigatinib

HYW8DB273J   NCATS
brigatinib *

Brigatinib   Wikipedia

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