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Ligand

NameCHEMBL526084
Molecular formulaC22H18ClN3O4
IUPAC nameN-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
Molecular weight423.853
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.6
SynonymsN-(3-(2-chlorophenyl)isoxazol-5-yl)-3-oxo-3H-spiro[isobenzofuran-1,4''-piperidine]-1''-carboxamide
BDBM50268737
Inchi KeyBRFHIYNXBGFEBI-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H18ClN3O4/c23-17-8-4-2-6-15(17)18-13-19(30-25-18)24-21(28)26-11-9-22(10-12-26)16-7-3-1-5-14(16)20(27)29-22/h1-8,13H,9-12H2,(H,24,28)
PubChem CID44583539
ChEMBLCHEMBL526084
IUPHARN/A
BindingDB50268737
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
30939Neuropeptide Y receptor type 5Q15761NPY5RHomo sapiens (Human)445

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