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Ligand

NameCHEMBL540042
Molecular formulaC17H22N2O2
IUPAC name4-(3-phenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one
Molecular weight286.375
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.6
SynonymsBDBM50113805
4-(3-Phenyl-propyl)-5-piperidin-4-yl-isoxazol-3-ol; hydrobromide
CHEMBL1190045
Inchi KeyMWOXWCPESBQMBA-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H22N2O2/c20-17-15(8-4-7-13-5-2-1-3-6-13)16(21-19-17)14-9-11-18-12-10-14/h1-3,5-6,14,18H,4,7-12H2,(H,19,20)
PubChem CID11024974
ChEMBLN/A
IUPHARN/A
BindingDB50113805
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
216061Gamma-aminobutyric acid type B receptor subunit 1Q9Z0U4Gabbr1Rattus norvegicus (Rat)991

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