compound 47 [PMID: 28737909]

Ligand id: 9646

Name: compound 47 [PMID: 28737909]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 111.61
Molecular weight 265.1
XLogP 0.55
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Immunopharmacology Comments
Compound 47 represents a chemical tool suitable for dissecting the roles of IKKα and IKKβ in cellular signaling, and may be used to help validate IKKα specifically as a target in inflammatory diseases.