Details of the Drug

General Information of Drug (ID: DMC5G8P)

• Drug Name: Phenoxypiperidine derivative 2
• Synonyms: PMID29334795-Compound-37
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 318.5
  Logarithm of the Partition Coefficient (xlogp); 3.2
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C19H30N2O2
  IUPAC Name: 1-[3-(4-piperidin-4-yloxyphenoxy)propyl]piperidine
  Canonical SMILES: C1CCN(CC1)CCCOC2=CC=C(C=C2)OC3CCNCC3
  InChI: InChI=1S/C19H30N2O2/c1-2-13-21(14-3-1)15-4-16-22-17-5-7-18(8-6-17)23-19-9-11-20-12-10-19/h5-8,19-20H,1-4,9-16H2
  InChIKey: IRTTXYWMHFLYFK-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 86299782
  TTD ID: D0A2ZO

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	Not Available	[1]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Histamine H3 receptor (H3R)	DTT	HRH3	2.63E-01	0.06	0.23
Histamine H3 receptor (H3R)	DTT	HRH3	6.11E-01	-0.08	-0.69

References

• [1] Progress in the development of histamine H3 receptor antagonists/inverse agonists: a patent review (2013-2017).Expert Opin Ther Pat. 2018 Mar;28(3):175-196.