Details of the Drug

General Information of Drug (ID: DMNRU35)

• Drug Name: PMID27788040-Compound-6c
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 423.9
  Logarithm of the Partition Coefficient (xlogp); 4
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C24H26ClN3O2
  IUPAC Name: 3-[5-(4-chlorophenyl)-7-methoxyimidazo[1,2-b]isoindol-5-yl]-N,N-diethylpropanamide
  Canonical SMILES: CCN(CC)C(=O)CCC1(C2=C(C=CC(=C2)OC)C3=NC=CN31)C4=CC=C(C=C4)Cl
  InChI: InChI=1S/C24H26ClN3O2/c1-4-27(5-2)22(29)12-13-24(17-6-8-18(25)9-7-17)21-16-19(30-3)10-11-20(21)23-26-14-15-28(23)24/h6-11,14-16H,4-5,12-13H2,1-3H3
  InChIKey: YBMSTCJKQQMCAW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 58415473
  TTD ID: D0H1LQ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Neuropeptide S receptor (NPSR)	TTV1C0Z	NPSR1_HUMAN	Antagonist	[1]

References

• [1] Neuropeptide S receptor ligands: a patent review (2005-2016).Expert Opin Ther Pat. 2017 Mar;27(3):347-362.