GNE-8505

Ligand id: 9990

Name: GNE-8505

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 69.2
Molecular weight 419.19
XLogP 2.25
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-[1-(cyclopropylmethyl)-5-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
Synonyms
example 152 [WO2014111496]
Comments
GNE-8505 is a selective inhibitor of dual leucine zipper kinase (DLK) that is being developed by Genentech (claimed in patent WO2014111496) , with similar imidazole derivatives being claimed by the University of Texas in patent WO2018044808 [3]. We have drawn the structure as depicted in Siu et al. (2018) where it is identified as compound 9 [2].
Database Links
ChEMBL Ligand CHEMBL3715238
GtoPdb PubChem SID 374883877
PubChem CID 90292687
Search Google for chemical match using the InChIKey IRPVABHDSJVBNZ-QWHZDKJVSA-N
Search Google for chemicals with the same backbone IRPVABHDSJVBNZ
Search UniChem for chemical match using the InChIKey IRPVABHDSJVBNZ-QWHZDKJVSA-N
Search UniChem for chemicals with the same backbone IRPVABHDSJVBNZ