Details of the Drug

General Information of Drug (ID: DMP93HZ)

• Drug Name: 1-(3,4-dihydronaphthalen-2-yl)-1H-imidazole
• Synonyms: BRN 4745179; 89781-63-5; 1H-Imidazole, 1-(3,4-dihydro-2-naphthalenyl)-; 1-(3,4-Dihydro-2-naphthalenyl)-1H-imidazole; 1-(3,4-dihydronaphthalen-2-yl)-1H-imidazole; 1H-Imidazole,1-(3,4-dihydro-2-naphthalenyl)-; ACMC-20lqcl; Dihydronaphthalene 13; AC1MIBH1; SCHEMBL4513496; CHEMBL208471; BDBM8898; 1-(3,4-DIHYDRO-NAPHTHALEN-2-YL)-1H-IMIDAZOLE; CTK5G3471; DTXSID50237889; ZINC13684552; AKOS006279027; 1-(3,4-dihydronaphthalen-2-yl)imidazole; LS-78473

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); 196.25
  Logarithm of the Partition Coefficient (xlogp); 2.5
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C13H12N2
  IUPAC Name: 1-(3,4-dihydronaphthalen-2-yl)imidazole
  Canonical SMILES: C1CC(=CC2=CC=CC=C21)N3C=CN=C3
  InChI: InChI=1S/C13H12N2/c1-2-4-12-9-13(6-5-11(12)3-1)15-8-7-14-10-15/h1-4,7-10H,5-6H2
  InChIKey: DHUCLDOIXQGVDQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 3021558
  CAS Number: 89781-63-5
  TTD ID: D0N4VI

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 and evaluation of heteroaryl-substituted dihydronaphthalenes and indenes: potent and selective inhibitors of aldosterone synthase (CYP11B... J Med Chem. 2006 Apr 6;49(7):2222-31.