Details of the Drug

General Information of Drug (ID: DM5E74G)

• Drug Name: 2-Phenoxymethyl-4,5-dihydro-1H-imidazole
• Synonyms: 2-(phenoxymethyl)-4,5-dihydro-1H-imidazole; CHEMBL14640; 43111-36-0; SCHEMBL546875; 2-(Phenoxymethyl)-2-imidazoline; BDBM50179395; AKOS006278066; 1H-Imidazole, 4,5-dihydro-2-(phenoxymethyl)-

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); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C10H12N2O
  IUPAC Name: 2-(phenoxymethyl)-4,5-dihydro-1H-imidazole
  Canonical SMILES: C1CN=C(N1)COC2=CC=CC=C2
  InChI: InChI=1S/C10H12N2O/c1-2-4-9(5-3-1)13-8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)
  InChIKey: GRMJZZBFHKTYDJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10442227
  CAS Number: 43111-36-0
  TTD ID: D0N9FH

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]
Monoamine oxidase type B (MAO-B)	TTGP7BY	AOFB_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 B (MAO-B)	DTT	MAOB	2.65E-02	1.12E-02	0.07
Monoamine oxidase type A (MAO-A)	DTT	MAOA	8.14E-01	0.05	0.1

References

• [1] Binding of an imidazopyridoindole at imidazoline I2 receptors. Bioorg Med Chem Lett. 2004 Jan 19;14(2):527-9.