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Ligand

NameSHA-68
Molecular formulaC26H24FN3O3
IUPAC nameN-[(4-fluorophenyl)methyl]-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
Molecular weight445.494
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.7
SynonymsN-[(4-Fluorophenyl)methyl]tetrahydro-3-oxo-1,1-diphenyl-3H-oxazolo[3,4-a]pyrazine-7(1H)-carboxamide
847553-89-3
GTPL5813
BCP17377
N-(4-Fluorobenzyl)-3-oxo-1,1-diphenyltetrahydro-1H-oxazolo[3,4-a]pyrazine-7(3H)-carboxamide
[ Show all ]
Inchi KeySFRQIPRTNYHJHP-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H24FN3O3/c27-22-13-11-19(12-14-22)17-28-24(31)29-15-16-30-23(18-29)26(33-25(30)32,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23H,15-18H2,(H,28,31)
PubChem CID11374217
ChEMBLCHEMBL469695
IUPHAR5813
BindingDB50443391
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
313170Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
313171Neuropeptide S receptorQ8BZP8Npsr1Mus musculus (Mouse)371
554811Neuropeptide S receptorP0C0L6Npsr1Rattus norvegicus (Rat)372

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