GNE-3511

Ligand id: 9355

Name: GNE-3511

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 77.31
Molecular weight 440.21
XLogP 3.09
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-yl]amino]pyridine-4-carbonitrile
Synonyms
compound 26 [PMID: 25341110]
Database Links
BindingDB Ligand 50059190
ChEMBL Ligand CHEMBL3393333
PubChem CID 72547959
RCSB PDB Ligand 50D
Search Google for chemical match using the InChIKey RHFIAUKMKYHHFA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RHFIAUKMKYHHFA
Search UniChem for chemical match using the InChIKey RHFIAUKMKYHHFA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone RHFIAUKMKYHHFA
Comments
GNE-3511 is an inhibitor of dual leucine zipper kinase (DLK; MAP3K12), investigated for therapeutic potential in neurodegenerative conditions [2].