avapritinib

Ligand id: 10368

Name: avapritinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 106.29
Molecular weight 498.24
XLogP 4.21
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(1S)-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine
International Nonproprietary Names
INN number INN
10613 avapritinib
Synonyms
BLU-285 | BLU285
Comments
Avapritinib (BLU-285) was developed by Blueprint Medicines as a potential therapeutic for the treatment of cancers driven by KIT/PDGFRA mutations [2]. It is a Type I kinase inhibitor. Avapritinib binds to the 'switch pocket' of KIT, a domain that regulates the enzyme's catalytic conformation. Compounds that act in this way are often referred to as switch control inhibitors [1]. Another such switch control inhibitor is ripretinib.
Database Links
CAS Registry No. 1703793-34-3 (source: WHO INN record)
GtoPdb PubChem SID 384403648
PubChem CID 118023034
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