Details of the Drug

General Information of Drug (ID: DMFKRMG)

• Drug Name: 4-[3-(4-Butyl-phenoxy)-propyl]-1H-imidazole
• Synonyms: CHEMBL419654; 4-[3-(4-Butyl-phenoxy)-propyl]-1H-imidazole; SCHEMBL7991257; NKIFZJYIQSBUEI-UHFFFAOYSA-N; BDBM50093221; [3-(4-Imidazolyl)propyl](4-butylphenyl) ether; 4-Butylphenyl 3-(1H-imidazol-4-yl)propyl ether

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); 258.36
  Logarithm of the Partition Coefficient (xlogp); 4.3
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C16H22N2O
  IUPAC Name: 5-[3-(4-butylphenoxy)propyl]-1H-imidazole
  Canonical SMILES: CCCCC1=CC=C(C=C1)OCCCC2=CN=CN2
  InChI: InChI=1S/C16H22N2O/c1-2-3-5-14-7-9-16(10-8-14)19-11-4-6-15-12-17-13-18-15/h7-10,12-13H,2-6,11H2,1H3,(H,17,18)
  InChIKey: NKIFZJYIQSBUEI-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 21193574
  TTD ID: D0O9LR

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] Analogues and derivatives of ciproxifan, a novel prototype for generating potent histamine H3-receptor antagonists. Bioorg Med Chem Lett. 2000 Oct 16;10(20):2379-82.