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Ligand

NameCHEMBL119473
Molecular formulaC22H32N2O2
IUPAC name6-[2-[(2S)-2-(diethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one
Molecular weight356.51
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.1
SynonymsBDBM50037588
6-[2-((S)-2-Diethylaminomethyl-piperidin-1-yl)-2-oxo-ethyl]-3,4-dihydro-2H-naphthalen-1-one
1-[2alpha-[(Diethylamino)methyl]piperidino]-2-(1-oxotetralin-6-yl)ethanone
Inchi KeyBKROBACPXAZIEF-IBGZPJMESA-N
Inchi IDInChI=1S/C22H32N2O2/c1-3-23(4-2)16-19-9-5-6-13-24(19)22(26)15-17-11-12-20-18(14-17)8-7-10-21(20)25/h11-12,14,19H,3-10,13,15-16H2,1-2H3/t19-/m0/s1
PubChem CID10043836
ChEMBLCHEMBL119473
IUPHARN/A
BindingDB50037588
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
26102Kappa-type opioid receptorP33534Oprk1Mus musculus (Mouse)380

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