Details of the Drug

General Information of Drug (ID: DMEVO6M)

• Drug Name: 1-Benzyl-2-methyl-1H-imidazole
• Synonyms: 1-Benzyl-2-methyl-1H-imidazole; 1-Benzyl-2-methylimidazole; 13750-62-4; N-Benzyl-2-methylimidazole; Imidazole, 1-benzyl-2-methyl-; 1H-Imidazole, 2-methyl-1-(phenylmethyl)-; EINECS 237-333-8; 1H-Imidazole, methyl(phenylmethyl)-; 2-methyl-1-benzylimidazole; PubChem9442; ACMC-209ccp; SCHEMBL81625; 1-benzyl-2-methyl imidazole; labotest-bb lt00455538; KSC427M1B; MLS001074953; BDBM7885; AC1Q4X69; AC1L35Z6; CHEMBL1269154; DTXSID4065604; FBHPRUXJQNWTEW-UHFFFAOYSA-N; MolPort-003-931-164; HMS3372N18; ZINC156633; HMS2231D21; SBB058028

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 172.23
  Logarithm of the Partition Coefficient (xlogp); 2
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C11H12N2
  IUPAC Name: 1-benzyl-2-methylimidazole
  Canonical SMILES: CC1=NC=CN1CC2=CC=CC=C2
  InChI: InChI=1S/C11H12N2/c1-10-12-7-8-13(10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
  InChIKey: FBHPRUXJQNWTEW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 83699
  CAS Number: 13750-62-4
  TTD ID: D07LMI

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] 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.