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
Structure
3D MOL 2D MOL
#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
ChEBI ID
CHEMBL469696
TTD ID
D0I0BN
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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