Details of the Drug

General Information of Drug (ID: DM4H6PC)

• Drug Name: 2-Phenethyl-4,5-dihydro-1H-imidazole
• Synonyms: beta-Phenylethylimidazoline; 2-Phenethyl-2-imidazoline; 2-IMIDAZOLINE, 2-PHENETHYL-; BRN 0129593; 1H-Imidazole, 4,5-dihydro-2-(2-phenylethyl)-; 26038-62-0; 2-Phenethyl-4,5-dihydro-1H-imidazole; CHEMBL14210; 2-(beta-Phenylaethyl)imidazolin [German]; Phenyzoline; 2-(beta-Phenylaethyl)imidazolin; 2-Phenethyl-1-imidazoline; AC1L1PA8; 5-23-07-00011 (Beilstein Handbook Reference); SCHEMBL3172677; DTXSID30180682; BDBM50138499; AKOS022535828; LS-79674

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); 174.24
  Logarithm of the Partition Coefficient (xlogp); 2.9
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C11H14N2
  IUPAC Name: 2-(2-phenylethyl)-4,5-dihydro-1H-imidazole
  Canonical SMILES: C1CN=C(N1)CCC2=CC=CC=C2
  InChI: InChI=1S/C11H14N2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-5H,6-9H2,(H,12,13)
  InChIKey: CPMMXSDLEOJRHI-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 33273
  CAS Number: 26038-62-0
  TTD ID: D0Z7NC

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.