spebrutinib

Ligand id: 7837

Name: spebrutinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 97.4
Molecular weight 423.17
XLogP 3.71
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
International Nonproprietary Names
INN number INN
10004 spebrutinib
Synonyms
AVL 292 | AVL-292 | cc-292
Database Links
CAS Registry No. 1202757-89-8
ChEMBL Ligand CHEMBL3301625
PubChem CID 59174488
Search Google for chemical match using the InChIKey KXBDTLQSDKGAEB-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey KXBDTLQSDKGAEB-UHFFFAOYSA-N
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Comments
Spebrutinib acts as an inhibitor of Bruton's tyrosine kinase (BTK).