Details of the Drug

General Information of Drug (ID: DMFQI4C)

• Drug Name: 2-(4-chlorophenyl)-4,5-dihydro-1H-imidazole
• Synonyms: 2-(4-chlorophenyl)-4,5-dihydro-1H-imidazole; 13623-52-4; CHEMBL448710; 1H-Imidazole,2-(4-chlorophenyl)-4,5-dihydro-; NSC129258; AC1L5PGD; AC1Q3R0Q; AC1Q3IU9; 1h-imidazole, 2-(4-chlorophenyl)-4,5-dihydro-; SCHEMBL523059; CTK4C0220; DTXSID90299300; XUMWMBLBTZAVLW-UHFFFAOYSA-N; MolPort-005-311-522; ZINC608390; 2-(4-chlorophenyl)-2-imidazoline; 2-(4-Chlorophenyl)-1-imidazoline; BDBM50266028; STK367850; AKOS005444786; NE32890; NSC-129258; MCULE-4125153952; 2-Imidazoline, 2-(p-chloro-phenyl)-; DB-063124; FT-0766187; EN300-29599

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); 180.63
  Logarithm of the Partition Coefficient (xlogp); 1.5
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C9H9ClN2
  IUPAC Name: 2-(4-chlorophenyl)-4,5-dihydro-1H-imidazole
  Canonical SMILES: C1CN=C(N1)C2=CC=C(C=C2)Cl
  InChI: InChI=1S/C9H9ClN2/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4H,5-6H2,(H,11,12)
  InChIKey: XUMWMBLBTZAVLW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 279088
  CAS Number: 13623-52-4
  TTD ID: D01FTB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
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

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.