compound 11 [PMID: 26431428]

Ligand id: 9989

Name: compound 11 [PMID: 26431428]

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 79
Molecular weight 392.23
XLogP 2.4
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile
Comments
Compound 11 is a potent, selective, and brain penetrant inhibitor of dual leucine zipper kinase (DLK, MAP3K12) [2]. DLK inhibitors are being investigated for neuroprotective potential.
Database Links
BindingDB Ligand 50128294
ChEMBL Ligand CHEMBL3629013
GtoPdb PubChem SID 374883876
PubChem CID 91936970
RCSB PDB Ligand 50F
Search Google for chemical match using the InChIKey GMTAOJMPNXLKJI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GMTAOJMPNXLKJI
Search UniChem for chemical match using the InChIKey GMTAOJMPNXLKJI-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone GMTAOJMPNXLKJI
SynPHARM 85268 (in complex with mitogen-activated protein kinase kinase kinase 12)