Details of the Drug

General Information of Drug (ID: DMY3O6N)

• Drug Name: N5-(1-Imino-3-Butenyl)-L-Ornithine
• Synonyms: 1-{[(4S)-4-amino-4-carboxybutyl]amino}butan-1-iminium

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 202.27
  Logarithm of the Partition Coefficient (xlogp); -2.8
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C9H20N3O2+
  IUPAC Name: 1-aminobutylidene-[(4S)-4-amino-4-carboxybutyl]azanium
  Canonical SMILES: CCCC(=[NH+]CCC[C@@H](C(=O)O)N)N
  InChI: InChI=1S/C9H19N3O2/c1-2-4-8(11)12-6-3-5-7(10)9(13)14/h7H,2-6,10H2,1H3,(H2,11,12)(H,13,14)/p+1/t7-/m0/s1
  InChIKey: KRILJVOCVSUPMA-ZETCQYMHSA-O
• Cross-matching ID:
  PubChem CID: 5289554
  TTD ID: D09BPC

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]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Nitric-oxide synthase brain (NOS1)	DTT	NOS1	5.20E-01	0.02	0.07

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.