Details of the Drug

General Information of Drug (ID: DM1LPKH)

• Drug Name: Oxazolo[3,4-a]pyrazine derivative 3
• Synonyms: PMID27788040-Compound-1b
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 427.5
  Logarithm of the Partition Coefficient (xlogp); 3.6
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C26H25N3O3
  IUPAC Name: N-benzyl-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
  Canonical SMILES: C1CN2C(CN1C(=O)NCC3=CC=CC=C3)C(OC2=O)(C4=CC=CC=C4)C5=CC=CC=C5
  InChI: InChI=1S/C26H25N3O3/c30-24(27-18-20-10-4-1-5-11-20)28-16-17-29-23(19-28)26(32-25(29)31,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23H,16-19H2,(H,27,30)
  InChIKey: WPBWKKIZKTUNIP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11177829
  TTD ID: D0I0BN

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.