Details of the Drug

General Information of Drug (ID: DM26R4P)

• Drug Name: N-benzylacetimidamide hydrobromide
• Synonyms: N-Benzylacetamidine Hydrobromide; 186545-76-6; CHEMBL462334; 1-(Benzylamino)ethaniminium bromide; N-benzylacetimidamide hydrobromide; C9H12N2.HBr; CTK8E6104; DTXSID10649404; MolPort-009-019-600; 1916AH; AKOS025294782; RT-023317; J-011977; (1E)-N'-Benzylethanimidamide--hydrogen bromide (1/1)

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 229.12
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 2
  Hydrogen Bond Donor Count; 2
  Hydrogen Bond Acceptor Count; 1
• Chemical Identifiers:
  Formula: C9H13BrN2
  IUPAC Name: N'-benzylethanimidamide;hydrobromide
  Canonical SMILES: CC(=NCC1=CC=CC=C1)N.Br
  InChI: InChI=1S/C9H12N2.BrH/c1-8(10)11-7-9-5-3-2-4-6-9;/h2-6H,7H2,1H3,(H2,10,11);1H
  InChIKey: RUQJDXJQOUUQHG-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 25231659
  CAS Number: 186545-76-6
  TTD ID: D05PZA

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
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] N-Substituted acetamidines and 2-methylimidazole derivatives as selective inhibitors of neuronal nitric oxide synthase. Bioorg Med Chem Lett. 2010 Nov 15;20(22):6495-9.