Details of the Drug

General Information of Drug (ID: DMNRHSO)

• Drug Name: BENZYLIMIDAZOLE
• Synonyms: 1-Benzylimidazole; 1-Benzyl-1H-imidazole; 4238-71-5; N-Benzylimidazole; Imidazole, 1-benzyl-; BENZYLIMIDAZOLE; 1H-Imidazole, 1-(phenylmethyl)-; 1-BENZYL IMIDAZOLE; CCRIS 5821; EINECS 224-200-4; 1-Benzylimidazole, 99%; NSC 217337; NSC 126828; CHEMBL14192; AI3-52572; MLS000069473; KKKDZZRICRFGSD-UHFFFAOYSA-N; MFCD00005296; SMR000059044; 1BN; 1-benzylimdazole; 2afx; 1-benzyl-imidazole; 3pb9; 1-Benzylimidazole (BI); Maybridge3_003880; Opera_ID_1637; SCHEMBL414; ACMC-209jp9; AC1Q28WR; AC1L2U3N; AC1Q4X5Z; AC1Q28WS; KSC492M7H; MLS001424205

Indication

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

• Affected Organisms: Humans and other mammals
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 158.2
  Logarithm of the Partition Coefficient (xlogp); 1.6
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C10H10N2
  IUPAC Name: 1-benzylimidazole
  Canonical SMILES: C1=CC=C(C=C1)CN2C=CN=C2
  InChI: InChI=1S/C10H10N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h1-7,9H,8H2
  InChIKey: KKKDZZRICRFGSD-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 77918
  CAS Number: 4238-71-5
  UNII: W4C9Z5BCV7
  DrugBank ID: DB04581
  TTD ID: D0X0IH

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Steroid 11-beta-hydroxylase (CYP11B1)	TTIQUX7	C11B1_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
Steroid 11-beta-hydroxylase (CYP11B1)	DTT	CYP11B1	4.31E-04	-0.03	-0.13

References

• [1] Synthesis, biological evaluation, and molecular modeling of 1-benzyl-1H-imidazoles as selective inhibitors of aldosterone synthase (CYP11B2). J Med Chem. 2010 Feb 25;53(4):1712-25.