naquotinib

Ligand id: 9248

Name: naquotinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 120.16
Molecular weight 562.34
XLogP 2.19
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
6-ethyl-3-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]oxypyrazine-2-carboxamide
International Nonproprietary Names
INN number INN
10317 naquotinib
Synonyms
ASP8273
Database Links
BindingDB Ligand 170514
CAS Registry No. 1448232-80-1 (source: WHO INN record)
PubChem CID 71667668
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Comments
ASP8273 is a third generation EGFR inhibitor, targeting T790M / L858R mutants. It is a structural match to example 54 in patent WO2013108754 [1].