Details of the Drug

General Information of Drug (ID: DM0KUMX)

• Drug Name: 2-(4-methoxyphenyl)-4,5-dihydro-1H-imidazole
• Synonyms: 2-(4-Methoxyphenyl)-4,5-dihydro-1H-imidazole; 6302-84-7; 4,5-Dihydro-2-(4-methoxyphenyl)-1H-Imidazole; 2-Imidazoline, 2-(p-methoxyphenyl)-; 1H-Imidazole, 4,5-dihydro-2-(4-methoxyphenyl)-; CHEMBL13633; NSC41538; AC1L5ZGN; 2-(p-Anisyl)-1-imidazoline; SCHEMBL9575256; AC1Q580G; CTK5B7166; DTXSID40285359; LPRQSQCAHSRGRZ-UHFFFAOYSA-N; ZINC1672770; BDBM50240364; NSC-41538; AKOS022491172; MCULE-4518622050; 1-(2-imidazolin-2-yl)-4-methoxybenzene; 2-(P-METHOXY-PHENYL)-IMIDAZOLINE; DB-073247; KB-222983; ST50998435; FT-0712566

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); 176.21
  Logarithm of the Partition Coefficient (xlogp); 0.9
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C10H12N2O
  IUPAC Name: 2-(4-methoxyphenyl)-4,5-dihydro-1H-imidazole
  Canonical SMILES: COC1=CC=C(C=C1)C2=NCCN2
  InChI: InChI=1S/C10H12N2O/c1-13-9-4-2-8(3-5-9)10-11-6-7-12-10/h2-5H,6-7H2,1H3,(H,11,12)
  InChIKey: LPRQSQCAHSRGRZ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 237746
  CAS Number: 6302-84-7
  TTD ID: D0K8SK

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Monoamine oxidase type A (MAO-A)	TT3WG5C	AOFA_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
Monoamine oxidase type A (MAO-A)	DTT	MAOA	8.14E-01	0.05	0.1

References

• [1] Ultrasound promoted synthesis of 2-imidazolines in water: a greener approach toward monoamine oxidase inhibitors. Bioorg Med Chem Lett. 2009 Jan 15;19(2):546-9.