saracatinib

Ligand id: 7731

Name: saracatinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 90.44
Molecular weight 541.21
XLogP 2.17
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(oxan-4-yloxy)quinazolin-4-amine
International Nonproprietary Names
INN number INN
9017 saracatinib
Synonyms
AZD-0530 | AZD0530
Database Links
CAS Registry No. 379231-04-6
ChEMBL Ligand CHEMBL217092
PubChem CID 10302451
RCSB PDB Ligand H8H
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SynPHARM 80251 (in complex with SRC proto-oncogene, non-receptor tyrosine kinase)
Comments
Saracatinib was developed as an inhibitor of Src family tyrosine kinases. This compound is now included in AstaZeneca's Open Innovation Pharmacology Toolbox.
Note that some bioactivity data may be associated with the difumarate salt (PubChem CID 44195703).
Saracatinib (AZD0530) is compound 33 in [1].