Structure

InChI Key IKPNWIGTWUZCKM-JEDNCBNOSA-N
Smiles CC(=O)O.CNC(=N)NCCC[C@H](N)C(=O)O
InChI
InChI=1S/C7H16N4O2.C2H4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13;1-2(3)4/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11);1H3,(H,3,4)/t5-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H20N4O4
Molecular Weight 248.28
AlogP -1.08
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 5.0
Polar Surface Area 111.23
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 13.0

Pharmacology

Mechanism of Action Action Reference
Nitric oxide synthase inhibitor INHIBITOR PubMed PubMed PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Mus musculus
- - - - 22.79-58.16

Cross References

Resources Reference
ChEMBL CHEMBL1256175
FDA SRS 2FL3530AF2
PubChem 135242
SureChEMBL SCHEMBL1321022