GSK1070916

Ligand id: 8358

Name: GSK1070916

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 82.08
Molecular weight 507.27
XLogP 4.61
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[4-[4-[2-[3-[(dimethylamino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-ethylpyrazol-3-yl]phenyl]-1,1-dimethylurea
Synonyms
compound 17k [PMID 20420387] | GSK-1070916
Database Links
CAS Registry No. 942918-07-2
ChEMBL Ligand CHEMBL1090479
PubChem CID 46885626
Search Google for chemical match using the InChIKey QTBWCSQGBMPECM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QTBWCSQGBMPECM
Search UniChem for chemical match using the InChIKey QTBWCSQGBMPECM-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QTBWCSQGBMPECM
Comments
GSK1070916 is reported to be an ATP-competitive, potent and selective inhibitor of Aurora kinases B and C [1].