CHEBI:229220 - repotrectinib

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ChEBI Name repotrectinib
ChEBI ID CHEBI:229220
Definition An azamacrocycle with formula C18H18FN5O2. It is a tyrosine kinase inhibitor (highly potent against ROS1, TRKA-C, and ALK) used for the treatment of locally advanced or metastatic ROS1-positive non-small cell lung cancer.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C18H18FN5O2
Net Charge 0
Average Mass 355.373
Monoisotopic Mass 355.14445
InChI 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
InChIKey FIKPXCOQUIZNHB-WDEREUQCSA-N
SMILES C[C@H]1CNC(=O)C2=C3N=C(N[C@H](C)C4=CC(F)=CC=C4O1)C=CN3N=C2
Roles Classification
Biological Role(s): EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that interferes with the action of receptor protein-tyrosine kinase (EC 2.7.10.1).
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing repotrectinib (CHEBI:229220) has role antineoplastic agent (CHEBI:35610)
repotrectinib (CHEBI:229220) has role EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor (CHEBI:62434)
repotrectinib (CHEBI:229220) is a azamacrocycle (CHEBI:52898)
repotrectinib (CHEBI:229220) is a cyclic ether (CHEBI:37407)
repotrectinib (CHEBI:229220) is a monofluorobenzenes (CHEBI:83575)
repotrectinib (CHEBI:229220) is a pyrazolopyrimidine (CHEBI:38669)
repotrectinib (CHEBI:229220) is a secondary carboxamide (CHEBI:140325)
IUPAC Name
(7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14-tetrahydro-1,15-ethenopyrazolo[4,3-f][1,4,8,10]benzoxatriazacyclotridecin-4(5H)-one
INNs Sources
répotrectinib WHO MedNet
repotrectinib WHO MedNet
repotrectinib WHO MedNet
repotrectinibum WHO MedNet
Synonyms Sources
TPX 0005 ChEBI
TPX-0005 DrugBank
TPX0005 ChEBI
Brand Name Source
Augtyro KEGG DRUG
Manual Xrefs Databases
7GI PDBeChem
D11454 KEGG DRUG
DB16826 DrugBank
Repotrectinib Wikipedia
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Registry Number Type Source
1802220-02-5 CAS Registry Number KEGG DRUG
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Last Modified
16 April 2024