tilarginine   Click here for help

GtoPdb Ligand ID: 11467

Synonyms: L-Monomethylarginine | L-NMA | N(G)-monomethyl L-arginine | targinine (deprecated INN)
PDB Ligand
Compound class: Synthetic organic
Comment: Tilarginine acts as a pan-nitric oxide synthase (NOS) inhibitor. Chemically it is a conformationally restricted arginine analogue [1]. It was investigated for potential immunomodulating and antineoplastic activities.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 6
Topological polar surface area 113.73
Molecular weight 188.13
XLogP -2.96
No. Lipinski's rules broken 0
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Canonical SMILES CN=C(NCCC[C@@H](C(=O)O)N)N
Isomeric SMILES CN=C(NCCC[C@@H](C(=O)O)N)N
InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2S)-2-amino-5-[(N'-methylcarbamimidoyl)amino]pentanoic acid
International Nonproprietary Names Click here for help
INN number INN
7672 tilarginine
Synonyms Click here for help
L-Monomethylarginine | L-NMA | N(G)-monomethyl L-arginine | targinine (deprecated INN)
Database Links Click here for help
BindingDB Ligand 92900
ChEMBL Ligand CHEMBL256147
DrugBank Ligand DB11815
GtoPdb PubChem SID 440816836
PubChem CID 132862
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