compound II [PMID: 21329883]

Ligand id: 9579

Name: compound II [PMID: 21329883]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 95.75
Molecular weight 535.29
XLogP 2.75
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-{3,4-dimethoxy-5-[3-(4-methylpiperazin-1-yl)propoxy]phenyl}-1-(4-methoxyphenyl)-1H,3aH,7aH-pyrazolo[3,4-d]pyrimidin-6-amine
Database Links
PubChem CID 126970685
Search Google for chemical match using the InChIKey DRSHXJFUUPIBHX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DRSHXJFUUPIBHX
Search UniChem for chemical match using the InChIKey DRSHXJFUUPIBHX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DRSHXJFUUPIBHX
Comments
Compound II [PMID: 21329883] is an inhibitor of the atypical IκK kinase TANK-binding kinase 1 (TBK1) [1]. TBK1 couples pathogen surveillance to induction of innate immune signaling, regulating the type I interferon response as a host defense mechanism.