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

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
1761-fold selective for human nNOS vs. human eNOS.
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
Neuronal NOS Hs Inhibitor Inhibition 7.9 pKi - 1
pKi 7.9 (Ki 1.3x10-8 M) [1]
Neuronal NOS Rn Inhibitor Inhibition 7.8 pKi - 1
pKi 7.8 (Ki 1.6x10-8 M) [1]