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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
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P08922
Gene ID: 6098.0
Gene Symbol: ROS1
Target Organism: Homo sapiens (Human)
0.076 nM [IC50]
Target ID: Q9UM73
Gene ID: 238.0
Gene Symbol: ALK
Target Organism: Homo sapiens (Human)
1.01 nM [IC50]
Target ID: P12931
Gene ID: 6714.0
Gene Symbol: SRC
Target Organism: Homo sapiens (Human)
5.3 nM [IC50]
Substance Class Chemical
Created
by admin
on Thu Jul 06 17:31:09 UTC 2023
Edited
by admin
on Thu Jul 06 17:31:09 UTC 2023
Record UNII
08O3FQ4UNP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
REPOTRECTINIB
INN   USAN  
Official Name English
repotrectinib [INN]
Common Name English
(3R,6S,)-45-Fluoro-3,6-dimethyl-5-oxa-2,8-diaza-1(5,3)-pyrazolo[1,5-a]pyrimidina-4(1,2)-benzenanonaphan-9-one
Systematic Name English
TPX-0005
Code English
Repotrectinib [WHO-DD]
Common Name English
1,15-ETHENO-1H-PYRAZOLO(4,3-F)(1,4,8,10)BENZOXATRIAZACYCLOTRIDECIN-4(5H)-ONE, 11-FLUORO-6,7,13,14-TETRAHYDRO-7,13-DIMETHYL-, (7S,13R)-
Systematic Name English
REPOTRECTINIB [USAN]
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 573517
Created by admin on Thu Jul 06 17:31:09 UTC 2023 , Edited by admin on Thu Jul 06 17:31:09 UTC 2023
Code System Code Type Description
INN
10931
Created by admin on Thu Jul 06 17:31:09 UTC 2023 , Edited by admin on Thu Jul 06 17:31:09 UTC 2023
PRIMARY
PUBCHEM
135565923
Created by admin on Thu Jul 06 17:31:09 UTC 2023 , Edited by admin on Thu Jul 06 17:31:09 UTC 2023
PRIMARY
FDA UNII
08O3FQ4UNP
Created by admin on Thu Jul 06 17:31:09 UTC 2023 , Edited by admin on Thu Jul 06 17:31:09 UTC 2023
PRIMARY
NCI_THESAURUS
C133821
Created by admin on Thu Jul 06 17:31:09 UTC 2023 , Edited by admin on Thu Jul 06 17:31:09 UTC 2023
PRIMARY
USAN
FG-020
Created by admin on Thu Jul 06 17:31:09 UTC 2023 , Edited by admin on Thu Jul 06 17:31:09 UTC 2023
PRIMARY
SMS_ID
300000001945
Created by admin on Thu Jul 06 17:31:09 UTC 2023 , Edited by admin on Thu Jul 06 17:31:09 UTC 2023
PRIMARY
CAS
1802220-02-5
Created by admin on Thu Jul 06 17:31:09 UTC 2023 , Edited by admin on Thu Jul 06 17:31:09 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
IC50
TARGET -> INHIBITOR
IC50
TARGET -> INHIBITOR
IC50
TARGET -> INHIBITOR
IC50
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY