zanubrutinib

Ligand id: 9861

Name: zanubrutinib

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 105.71
Molecular weight 471.23
XLogP 4.48
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(7S)-2-(4-phenoxyphenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
International Nonproprietary Names
INN number INN
10555 zanubrutinib
Synonyms
BGB-3111 | BGB3111 | compound 27b [US9447106]
Comments
Zanubrutinib (BGB-3111) is a potent, selective and irreversible BTK inhibitor that is being investigated for clinical utility in the treatment of hematological cancers, such as non-Hodgkin's lymphoma and chronic lymphocytic leukemia (CLL) [1,3]. It was developed by BeiGene.
Database Links
BindingDB Ligand 250082
CAS Registry No. 1691249-45-2 (source: WHO INN record)
GtoPdb PubChem SID 363894155
PubChem CID 121413432
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