compound 19a [PMID: 21855335]

Ligand id: 8186

Name: compound 19a [PMID: 21855335]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 103.24
Molecular weight 490.2
XLogP 2.89
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[2-chloro-4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-(2,2-dimethylpiperazin-1-yl)methanone
Database Links
BindingDB Ligand 50354414
ChEMBL Ligand CHEMBL1836842
PubChem CID 56675928
Search Google for chemical match using the InChIKey MEQKJTZVPMNRIL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone MEQKJTZVPMNRIL
Search UniChem for chemical match using the InChIKey MEQKJTZVPMNRIL-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone MEQKJTZVPMNRIL
Comments
Compound 19a is a derivative identified in a medicinal chemistry study as a potent inhibitor of the Src family kinase, protein tyrosine kinase 6 (PTK6, aka Brk) [1].