Details of the Drug

General Information of Drug (ID: DM5F13I)

• Drug Name: 4-(3-Phenoxy-propyl)-1H-imidazole
• Synonyms: CHEMBL112951; CHEMBL128923; 4-(3-Phenoxypropyl)-1H-imidazole; BDBM50092833; 4-(3-Phenoxy-propyl)-1H-imidazole with (0.95M)oxalic acid

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); 202.25
  Logarithm of the Partition Coefficient (xlogp); 2.8
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C12H14N2O
  IUPAC Name: 5-(3-phenoxypropyl)-1H-imidazole
  Canonical SMILES: C1=CC=C(C=C1)OCCCC2=CN=CN2
  InChI: InChI=1S/C12H14N2O/c1-2-6-12(7-3-1)15-8-4-5-11-9-13-10-14-11/h1-3,6-7,9-10H,4-5,8H2,(H,13,14)
  InChIKey: DOOCQHQHBHNOGX-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10774476
  TTD ID: D0R2TU

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Histamine H3 receptor (H3R)	TT9JNIC	HRH3_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
Histamine H3 receptor (H3R)	DTT	HRH3	3.62E-02	-0.09	-0.22

References

• [1] Different antagonist binding properties of human and rat histamine H3 receptors. Bioorg Med Chem Lett. 2001 Apr 9;11(7):951-4.