larotrectinib

Ligand id: 8909

Name: larotrectinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 86
Molecular weight 428.18
XLogP 2.04
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3S)-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide
International Nonproprietary Names
INN number INN
10360 larotrectinib
Synonyms
(S)-N-(5-((R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-3-hydroxypyrrolidine-1-carboxamide [2] | example 14 [US8865698 B2] [2] | LOXO-101
Database Links
BindingDB Ligand 136597
PubChem CID 46188928
Search Google for chemical match using the InChIKey NYNZQNWKBKUAII-KBXCAEBGSA-N
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Search UniChem for chemical match using the InChIKey NYNZQNWKBKUAII-KBXCAEBGSA-N
Search UniChem for chemicals with the same backbone NYNZQNWKBKUAII
Comments
Larotrectinib (LOXO-101) is an orally available, potent and selective inhibitor of the receptor tyrosine kinases of the TRK family [1-2]. In these referenced patents, data is provided for inhibition of neurotrophic tyrosine kinase, receptor, type 1 (NTRK1, a.k.a. TrkA) .