Ligand id: 5113

Name: 3-bromo-7NI

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 71.82
Molecular weight 240.95
XLogP 2.74
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Selectivity at Human enzymes
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Target Type Action Affinity Units Concentration range (M) Reference
Neuronal NOS Inhibitor Inhibition 6.1 – 6.5 pIC50 - 1
pIC50 6.1 – 6.5 (IC50 7.94x10-7 – 3.16x10-7 M) [1]