IRAK4 inhibitor 4b [PMID: 18474425]

Ligand id: 8080

Name: IRAK4 inhibitor 4b [PMID: 18474425]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 92.37
Molecular weight 379.16
XLogP 2.46
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[2-methoxy-4-(morpholin-4-yl)phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
Database Links
BindingDB Ligand 50373415
ChEMBL Ligand CHEMBL256713
PubChem CID 44449334
Search Google for chemical match using the InChIKey RAFFLDOJXQAJPF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RAFFLDOJXQAJPF
Search UniChem for chemical match using the InChIKey RAFFLDOJXQAJPF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone RAFFLDOJXQAJPF
Comments
This is an experimental inhibitor of IRAK4 discovered by high throughput screening [1].