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Ligand

NameCHEMBL236396
Molecular formulaC31H35N3O3
IUPAC nameN-methyl-1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-4-phenyl-N-(2-phenylethyl)piperidine-4-carboxamide
Molecular weight497.639
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.5
SynonymsBDBM50224720
N-methyl-1-(2-(3-oxo-2,3-dihydrobenzo[b][1,4]oxazin-4-yl)ethyl)-N-phenethyl-4-phenylpiperidine-4-carboxamide
SCHEMBL4430397
Inchi KeyLDGQXFYTLVIEGL-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H35N3O3/c1-32(19-16-25-10-4-2-5-11-25)30(36)31(26-12-6-3-7-13-26)17-20-33(21-18-31)22-23-34-27-14-8-9-15-28(27)37-24-29(34)35/h2-15H,16-24H2,1H3
PubChem CID24803165
ChEMBLCHEMBL236396
IUPHARN/A
BindingDB50224720
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
184600Urotensin-2 receptorP49684Uts2rRattus norvegicus (Rat)386

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