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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H18FN5O2
Molecular Weight 355.3662
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of REPOTRECTINIB

SMILES

C[C@H]1CNC(=O)C2=C3N=C(N[C@H](C)C4=CC(F)=CC=C4O1)C=CN3N=C2

InChI

InChIKey=FIKPXCOQUIZNHB-WDEREUQCSA-N
InChI=1S/C18H18FN5O2/c1-10-8-20-18(25)14-9-21-24-6-5-16(23-17(14)24)22-11(2)13-7-12(19)3-4-15(13)26-10/h3-7,9-11H,8H2,1-2H3,(H,20,25)(H,22,23)/t10-,11+/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H18FN5O2
Molecular Weight 355.3662
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

Repotrectinib (TPX-0005) Is a Next-Generation ROS1/TRK/ALK Inhibitor. It represents an effective therapeutic option for patients with ROS1-, NTRK1-3-, or ALK-rearranged malignancies who have progressed on earlier-generation tyrosine kinase inhibitors. In June 2017, The US Food and Drug Administration (FDA) granted orphan drug designation to this drug for the treatment of Non–small cell lung adenocarcinoma with an ALK, ROS1, or NTRK mutation.

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
0.076 nM [IC50]
1.01 nM [IC50]
5.3 nM [IC50]

Cmax

ValueDoseCo-administeredAnalytePopulation
713 ng/mL
160 mg 2 times / day steady-state, oral
REPOTRECTINIB plasma
Homo sapiens

AUC

ValueDoseCo-administeredAnalytePopulation
7210 ng × h/mL
160 mg 2 times / day steady-state, oral
REPOTRECTINIB plasma
Homo sapiens

T1/2

ValueDoseCo-administeredAnalytePopulation
60.7 h
160 mg 1 times / day multiple, oral
REPOTRECTINIB plasma
Homo sapiens

Funbound

ValueDoseCo-administeredAnalytePopulation
5%
single, oral
REPOTRECTINIB plasma
Homo sapiens
4.6%
160 mg 1 times / day multiple, oral
REPOTRECTINIB plasma
Homo sapiens
Substance Class Chemical
Record UNII
08O3FQ4UNP
Record Status Validated (UNII)
Record Version