Details of the Drug

General Information of Drug (ID: DMEDSLZ)

• Drug Name: 1-(3-(2-(3-methoxyphenoxy)ethoxy)propyl)azepane
• Synonyms: CHEMBL476465; 1-(3-(2-(3-methoxyphenoxy)ethoxy)propyl)azepane

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); 307.4
  Logarithm of the Partition Coefficient (xlogp); 3.3
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C18H29NO3
  IUPAC Name: 1-[3-[2-(3-methoxyphenoxy)ethoxy]propyl]azepane
  Canonical SMILES: COC1=CC(=CC=C1)OCCOCCCN2CCCCCC2
  InChI: InChI=1S/C18H29NO3/c1-20-17-8-6-9-18(16-17)22-15-14-21-13-7-12-19-10-4-2-3-5-11-19/h6,8-9,16H,2-5,7,10-15H2,1H3
  InChIKey: CRNTZNDTRWBBPM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44582620
  TTD ID: D04FUZ

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] Diether derivatives of homo- or substituted piperidines as non-imidazole histamine H3 receptor ligands. Bioorg Med Chem. 2009 Apr 15;17(8):3037-42.