Details of the Drug

General Information of Drug (ID: DM1B74D)

• Drug Name: Oxazolo[3,4-a]pyrazine derivative 4
• Synonyms: PMID27788040-Compound-1c
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 448.6
  Logarithm of the Partition Coefficient (xlogp); 3
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C26H32N4O3
  IUPAC Name: 3-oxo-1,1-diphenyl-N-(2-piperidin-1-ylethyl)-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
  Canonical SMILES: C1CCN(CC1)CCNC(=O)N2CCN3C(C2)C(OC3=O)(C4=CC=CC=C4)C5=CC=CC=C5
  InChI: InChI=1S/C26H32N4O3/c31-24(27-14-17-28-15-8-3-9-16-28)29-18-19-30-23(20-29)26(33-25(30)32,21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-2,4-7,10-13,23H,3,8-9,14-20H2,(H,27,31)
  InChIKey: JJDDRYMIPIEXKX-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 23121947
  TTD ID: D00JCQ

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.