Details of the Drug

General Information of Drug (ID: DMQIFJ9)

• Drug Name: 2-Furan-2-yl-4,5-dihydro-1H-imidazole
• Synonyms: 2-Furan-2-yl-4,5-dihydro-1H-imidazole; 2-(furan-2-yl)-4,5-dihydro-1H-imidazole; 40029-93-4; CHEMBL14410; 2-(2-furyl)-4,5-dihydro-1H-imidazole; AC1LHNFC; BAS 00087895; 2-(2-furyl)imidazoline; 2-(2-imidazolin-2-yl)furan; 2-(1-Imidazoline-2-yl)furan; CTK5J7407; DTXSID40357040; MolPort-001-914-212; HMS1698J05; ZINC4992560; BDBM50138501; 2536AE; AKOS000301450; MCULE-8474767921; ST072486; TR-043590

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); 136.15
  Logarithm of the Partition Coefficient (xlogp); 0.3
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C7H8N2O
  IUPAC Name: 2-(furan-2-yl)-4,5-dihydro-1H-imidazole
  Canonical SMILES: C1CN=C(N1)C2=CC=CO2
  InChI: InChI=1S/C7H8N2O/c1-2-6(10-5-1)7-8-3-4-9-7/h1-2,5H,3-4H2,(H,8,9)
  InChIKey: IOTMYJAUZMRWCJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 840808
  CAS Number: 40029-93-4
  TTD ID: D09ZDQ

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.