REPOTRECTINIB

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 Search

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

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/30093503 | https://www.cancertherapyadvisor.com/home/cancer-topics/lung-cancer/tpx-0005-granted-orphan-drug-designation-for-non-small-cell-lung-cancer/

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 Target	Pharmacology	Potency
Proto-oncogene tyrosine-protein kinase ROS 5 Target ID: P08922 Gene ID: 6098.0 Gene Symbol: ROS1 Target Organism: Homo sapiens (Human) Sources: DOI: 10.1158/1535-7163 retrieved from http://mct.aacrjournals.org/content/17/1_Supplement/B185	Inhibitor 8297	0.076 nM [IC50]
ALK tyrosine kinase receptor 25 Target ID: Q9UM73 Gene ID: 238.0 Gene Symbol: ALK Target Organism: Homo sapiens (Human) Sources: DOI: 10.1158/1538-7445 retrieved from http://cancerres.aacrjournals.org/content/76/14_Supplement/2132	Inhibitor 8297	1.01 nM [IC50]
Proto-oncogene tyrosine-protein kinase Src 7 Target ID: P12931 Gene ID: 6714.0 Gene Symbol: SRC Target Organism: Homo sapiens (Human) Sources: DOI: 10.1158/1538-7445 retrieved from http://cancerres.aacrjournals.org/content/76/14_Supplement/2132	Inhibitor 8297	5.3 nM [IC50]
Neurotrophic tyrosine kinase receptor 5 Target ID: CHEMBL3559684 Sources: doi:10.1158/1538-7445.AM2017-3168 retrieved from http://cancerres.aacrjournals.org/content/77/13_Supplement/3168	Inhibitor 8297

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:54:21 UTC 2023` Edited by `admin` on `Sat Dec 16 11:54:21 UTC 2023`
Record UNII	08O3FQ4UNP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

REPOTRECTINIB

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

AUGTYRO

Brand Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

573517