Details of the Drug

General Information of Drug (ID: DM7EOG4)

• Drug Name: Acrylamide compound 2
• Synonyms: PMID29334795-Compound-51A
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 370.5
  Logarithm of the Partition Coefficient (xlogp); 2.9
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C22H30N2O3
  IUPAC Name: (E)-3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-1-morpholin-4-ylprop-2-en-1-one
  Canonical SMILES: C1CC(C1)N2CCC(CC2)OC3=CC=C(C=C3)/C=C/C(=O)N4CCOCC4
  InChI: InChI=1S/C22H30N2O3/c25-22(24-14-16-26-17-15-24)9-6-18-4-7-20(8-5-18)27-21-10-12-23(13-11-21)19-2-1-3-19/h4-9,19,21H,1-3,10-17H2/b9-6+
  InChIKey: MXFWFZGVHOHBHI-RMKNXTFCSA-N
• Cross-matching ID:
  PubChem CID: 73295197
  TTD ID: D08EYN

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.