Details of the Drug

General Information of Drug (ID: DM05O7J)

• Drug Name: N5-(1-iminopropyl)-L-ornithine
• Synonyms: N5-(1-iminopropyl)-L-ornithine; CHEMBL507472; L-IPO, 13; BDBM152699; ZINC40380536; BDBM50254450; N~5~-[(1Z)-propanimidoyl]-L-ornithine; (S)-2-Amino-5-propionimidoylamino-pentanoic acid; (S)-2-Amino-5-propionimidamidopentanoic acid (8); (2S)-2-azanyl-5-(propanimidoylamino)pentanoic acid

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); 187.24
  Logarithm of the Partition Coefficient (xlogp); -3.2
  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-5-(1-aminopropylideneamino)pentanoic acid
  Canonical SMILES: CCC(=NCCC[C@@H](C(=O)O)N)N
  InChI: InChI=1S/C8H17N3O2/c1-2-7(10)11-5-3-4-6(9)8(12)13/h6H,2-5,9H2,1H3,(H2,10,11)(H,12,13)/t6-/m0/s1
  InChIKey: ZYIBCZWVLDODOL-LURJTMIESA-N
• Cross-matching ID:
  PubChem CID: 44593548
  TTD ID: D04PBI

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

• 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 inducible (NOS2)	DTT	NOS2	4.24E-02	-0.27	-0.88

References

• [1] Structure-activity relationship of novel and known inhibitors of human dimethylarginine dimethylaminohydrolase-1: alkenyl-amidines as new leads. Bioorg Med Chem. 2008 Dec 15;16(24):10205-9.