458

Compound name
Entrectinib
Alt Name
RXDX-101
NMS-E628
Rozlytrek
Compound Image
Entrectinib.png
SMILES
CN1CCN(CC1)C2=CC(=C(C=C2)C(=O)NC3=NNC4=C3C=C(C=C4)CC5=CC(=CC(=C5)F)F)NC6CCOCC6
MW
560.60
Brutto
C31H34F2N6O2
InChI
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)
InChI Key
HAYYBYPASCDWEQ-UHFFFAOYSA-N
Approval Jurisdiction
2019 FDA
Approved for clinical use
ROS1+Ve NSCLC, Solid Tumors NTRK+Ve
CAS
1108743-60-7
PubChem CID
25141092
Action
NTRK1/2/3 ROS1; ALK
Approved Drug List
1
Commercial Vendor
Roche