compound 14j [PMID: 27050842]

Ligand id: 9147

Name: compound 14j [PMID: 27050842]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 63.83
Molecular weight 284.2
XLogP 2.88
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-methyl-6-(2-{5-[3-(methylamino)propyl]pyridin-3-yl}ethyl)pyridin-2-amine
Database Links
GtoPdb PubChem SID 315661232
PubChem CID 119081688
RCSB PDB Ligand W66
Search Google for chemical match using the InChIKey YUXWMCKGSHXUGW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YUXWMCKGSHXUGW
Search UniChem for chemical match using the InChIKey YUXWMCKGSHXUGW-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone YUXWMCKGSHXUGW
SynPHARM 83560 (in complex with Neuronal NOS)
83559 (in complex with Neuronal NOS)
Comments
Compound 14j is a potent and selective inhibitor of neuronal nitric oxide synthase (nNOS) [1].