compound 30 [PMID: 17280833]

Ligand id: 8193

Name: compound 30 [PMID: 17280833]

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 63.42
Molecular weight 504.25
XLogP 6.83
No. Lipinski's rules broken 1

Molecular properties generated using the CDK
Classification
Compound class Synthetic organic
IUPAC Name
5-phenyl-N-(2-phenylethyl)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]furo[3,2-e]pyrimidin-4-amine
Comments
Compound 30 was designed and assessed in a medicinal chemistry/structure-activity study to identify potent and selective inhibitors of the Src family tyrosine kinase, Lck [1].
Database Links
BindingDB Ligand 50204580
ChEMBL Ligand CHEMBL247667
GtoPdb PubChem SID 249565873
PubChem CID 11540659
Search Google for chemical match using the InChIKey CYXPHNZJEDAZDD-UHFFFAOYSA-N
Search Google for chemicals with the same backbone CYXPHNZJEDAZDD
Search UniChem for chemical match using the InChIKey CYXPHNZJEDAZDD-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone CYXPHNZJEDAZDD