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Substance Name: Entrectinib [USAN:INN]
RN: 1108743-60-7
UNII: L5ORF0AN1I
InChIKey: HAYYBYPASCDWEQ-UHFFFAOYSA-N

Note

  • Inhibits TRK, ROS1, and ALK receptor tyrosine kinases.

    NCI: An orally bioavailable inhibitor of the tyrosine kinases tropomyosin receptor kinases (Trk) A, B and C, C-ros oncogene 1 (ROS1) and anaplastic lymphoma kinase (ALK), with potential antineoplastic activity. Upon administration, entrectinib binds to and inhibits TrkA, TrkB, TrkC, ROS1 and ALK. Inhibition of these kinases may result in a disruption of TrkA-, TrkB-, TrkC-, ROS1-, and ALK-mediated signaling. This leads to an induction of apoptosis and an inhibition of tumor cell proliferation in tumor cells that express these kinases. TrkA, TrkB, TrkC, ROS1 and ALK are overexpressed in a variety of cancer cell types. (NCI Thesaurus)

Molecular Formula

  • C31-H34-F2-N6-O2

Molecular Weight

  • 560.6456
 

Classification Codes

  • Enzyme Inhibitors
  • Protein Kinase Inhibitors
  • Treatment of Cancer
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Names and Synonyms

Name of Substance

  • Entrectinib [USAN:INN]

Synonyms

  • Benzamide, N-(5-((3,5-difluorophenyl)methyl)-1H-indazol-3-yl)-4-(4-methyl-1-piperazinyl)-2-((tetrahydro-2H-pyran-4-yl)amino)-
  • Entrectinib
  • N-(5-(3,5-Difluorobenzyl)-1H-indazol-3-yl)-4-(4-methylpiperazin-1yl)-2-(tetrahydro-2H-pyran-4-ylamino)benzamide
  • RXDX-101
  • UNII-L5ORF0AN1I

Registry Numbers

CAS Registry Number

  • 1108743-60-7

FDA UNII

  • L5ORF0AN1I

System Generated Number

  • 1108743607

Structure Descriptors

InChI

1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)

InChIKey

HAYYBYPASCDWEQ-UHFFFAOYSA-N

Smiles

CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F