Details of the Drug

General Information of Drug (ID: DMC5G76)

• Drug Name: Oxazolo[3,4-a]pyrazine derivative 5
• Synonyms: PMID27788040-Compound-1d
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 428.5
  Logarithm of the Partition Coefficient (xlogp); 2.5
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C25H24N4O3
  IUPAC Name: 3-oxo-1,1-diphenyl-N-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
  Canonical SMILES: C1CN2C(CN1C(=O)NCC3=CC=CC=N3)C(OC2=O)(C4=CC=CC=C4)C5=CC=CC=C5
  InChI: InChI=1S/C25H24N4O3/c30-23(27-17-21-13-7-8-14-26-21)28-15-16-29-22(18-28)25(32-24(29)31,19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,22H,15-18H2,(H,27,30)
  InChIKey: ONMOMQJIMXCMOJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 23122056
  TTD ID: D0QY3L

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.