compound 17d [PMID: 23099093]

Ligand id: 8196

Name: compound 17d [PMID: 23099093]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 91.41
Molecular weight 450.27
XLogP 3.2
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-{3-[(5-cyclopropyl-2-{[4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide
Database Links
BindingDB Ligand 50401900
ChEMBL Ligand CHEMBL2207198
PubChem CID 44465558
Search Google for chemical match using the InChIKey CJPMSUUANYLPET-UHFFFAOYSA-N
Search Google for chemicals with the same backbone CJPMSUUANYLPET
Search UniChem for chemical match using the InChIKey CJPMSUUANYLPET-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone CJPMSUUANYLPET
Comments
Compound 17d is an analogue assessed in a medicinal chemistry study to find novel, potent inhibitors of the TANK-binding kinase 1 (TBK1) and IKK-epsilon (IKKε) kinases [1].