entospletinib

Ligand id: 7889

Name: entospletinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 83.37
Molecular weight 411.18
XLogP 3.15
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
6-(1H-indazol-6-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
International Nonproprietary Names
INN number INN
9874 entospletinib
Synonyms
GS-9973
Database Links
CAS Registry No. 1229208-44-9
ChEMBL Ligand CHEMBL3265032
PubChem CID 59473233
RCSB PDB Ligand CG9
Search Google for chemical match using the InChIKey XSMSNFMDVXXHGJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XSMSNFMDVXXHGJ
Search PubMed clinical trials entospletinib
Search PubMed titles entospletinib
Search PubMed titles/abstracts entospletinib
Search UniChem for chemical match using the InChIKey XSMSNFMDVXXHGJ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XSMSNFMDVXXHGJ
SynPHARM 80764 (in complex with spleen associated tyrosine kinase)
Comments
Entospletinib is a highly selective and orally available Syk inhibitor. Its discovery (research code GS-9973) is described in [1] where it is compound 68.