Details of the Drug

General Information of Drug (ID: DM7F38J)

• Drug Name: 4-isopropyl-2-(phenoxymethyl)morpholine
• Synonyms: CHEMBL510654; 4-isopropyl-2-(phenoxymethyl)morpholine; BDBM50293194

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); 235.32
  Logarithm of the Partition Coefficient (xlogp); 2.4
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C14H21NO2
  IUPAC Name: 2-(phenoxymethyl)-4-propan-2-ylmorpholine
  Canonical SMILES: CC(C)N1CCOC(C1)COC2=CC=CC=C2
  InChI: InChI=1S/C14H21NO2/c1-12(2)15-8-9-16-14(10-15)11-17-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3
  InChIKey: WCHHCBBPGSWTOB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 12226582
  TTD ID: D05OHN

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] 2-Aryloxymethylmorpholine histamine H(3) antagonists. Bioorg Med Chem Lett. 2008 Nov 1;18(21):5796-9.