Details of the Drug

General Information of Drug (ID: DM6Y49D)

• Drug Name: L-NIL
• Synonyms: L-NIL; N(6)-acetimidoyllysine; H-Lys(acetimidoyl)-OH; N~6~-[(1z)-Ethanimidoyl]-L-Lysine; N(6)-acetimidoyl-L-lysine; N(6)-ethanimidoyl-L-lysine; CHEMBL7889; L-N(6)-(1-iminoethyl)lysine; CHEBI:63971; L-N(omega)-(1-iminoethyl)lysine; 53774-63-3; N-(iminoethyl)-L-lysine; L-NIL;H-Lys(1-iminoethyl)-OH;N-(5-Amino-5-carboxypentyl)-acetamidine; L-N6-(1-Iminoethyl)lysine; Tocris-1139; NCGC00015566-01; N6-ethanimidoyl-L-lysine; Lopac-I-8021; AC1MBZ26; (L-N6-1-iminoethyl)lysine; SCHEMBL322091; L-Lysine,n6-(1-iminoethyl)-; DTXSID9041071
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 187.24
  Logarithm of the Partition Coefficient (xlogp); -3.1
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C8H17N3O2
  IUPAC Name: (2S)-2-amino-6-(1-aminoethylideneamino)hexanoic acid
  Canonical SMILES: CC(=NCCCC[C@@H](C(=O)O)N)N
  InChI: InChI=1S/C8H17N3O2/c1-6(9)11-5-3-2-4-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
  InChIKey: ONYFNWIHJBLQKE-ZETCQYMHSA-N
• Cross-matching ID:
  PubChem CID: 2733506
  ChEBI ID: CHEBI:63971
  TTD ID: D0Y7VJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nitric-oxide synthase brain (NOS1)	TTZUFI5	NOS1_HUMAN	Inhibitor	[1]
Nitric-oxide synthase endothelial (NOS3)	TTCM4B3	NOS3_HUMAN	Inhibitor	[1]
Nitric-oxide synthase inducible (NOS2)	TTF10I9	NOS2_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Nitric-oxide synthase inducible (NOS2)	DTT	NOS2	9.15E-01	-0.02	-0.09
Nitric-oxide synthase endothelial (NOS3)	DTT	NOS3	3.68E-01	-0.11	-0.85

References

• [1] Discovery of a series of aminopiperidines as novel iNOS inhibitors. Bioorg Med Chem Lett. 2008 Jan 1;18(1):336-43.