NANT   

GtoPdb Ligand ID: 10622

Synonyms: nNOS inhibitor I
Compound class: Synthetic organic
Comment: Cell-permeable, selective inhibitor of nNOS (Neuronal Nitric Oxide Synthase). Tris(trifluoroacetate) salt is used in assays (information available here: https://pubchem.ncbi.nlm.nih.gov/compound/71311606).
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 5
Rotatable bonds 10
Topological polar surface area 157.62
Molecular weight 247.18
XLogP -1
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES NCCNC[C@H](CCCN=C(N[N+](=O)[O-])N)N
Isomeric SMILES NCCNC[C@H](CCCN=C(N[N+](=O)[O-])N)N
InChI InChI=1S/C8H21N7O2/c9-3-5-12-6-7(10)2-1-4-13-8(11)14-15(16)17/h7,12H,1-6,9-10H2,(H3,11,13,14)/t7-/m0/s1
InChI Key RMSWBHUVFNFNIZ-ZETCQYMHSA-N
Bioactivity Comments
nNOS inhibitor I (tris(trifluoroacetate) salt) is a cell-permeable, selective inhibitor of nNOS (Ki = 120 nM). It displays >2,500-fold and 320-fold selectivity over eNOS and iNOS, respectively.
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
Neuronal NOS N/A Inhibitor Inhibition - - -