Details of the Drug

General Information of Drug (ID: DM75J4T)

• Drug Name: Piperazine carbamate/urea derivative 4
• Synonyms: PMID29334795-Compound-42
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 385.5
  Logarithm of the Partition Coefficient (xlogp); 3.4
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C21H31N5O2
  IUPAC Name: [1-(2-methylimidazo[1,2-a]pyridin-7-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
  Canonical SMILES: CC1=CN2C=CC(=CC2=N1)N3CCC(CC3)OC(=O)N4CCN(CC4)C(C)C
  InChI: InChI=1S/C21H31N5O2/c1-16(2)23-10-12-25(13-11-23)21(27)28-19-5-8-24(9-6-19)18-4-7-26-15-17(3)22-20(26)14-18/h4,7,14-16,19H,5-6,8-13H2,1-3H3
  InChIKey: XAQBWJISZRMNHF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 89487751
  TTD ID: D0H7OC

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	Ligand	[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.