Details of the Drug

General Information of Drug (ID: DMOSKJ8)

• Drug Name: 5-N-Allyl-Arginine
• Synonyms: 5-N-ALLYL-ARGININE; ARV; AC1NRA56; DB03892; N-[(1Z)-amino{[(4S)-4-amino-4-carboxybutyl]amino}methylidene]prop-2-en-1-aminium

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); 215.27
  Logarithm of the Partition Coefficient (xlogp); -3.2
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 5
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C9H19N4O2+
  IUPAC Name: [(4S)-4-amino-4-carboxybutyl]-[amino-(prop-2-enylamino)methylidene]azanium
  Canonical SMILES: C=CCNC(=[NH+]CCC[C@@H](C(=O)O)N)N
  InChI: InChI=1S/C9H18N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h2,7H,1,3-6,10H2,(H,14,15)(H3,11,12,13)/p+1/t7-/m0/s1
  InChIKey: ZPQWZDPOLXVMOU-ZETCQYMHSA-O
• Cross-matching ID:
  PubChem CID: 5287706
  DrugBank ID: DB03892
  TTD ID: D08WHV

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.