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Ligand

NameCHEMBL138809
Molecular formulaC20H23NO2
IUPAC name1'-benzyl-1-methoxyspiro[1H-2-benzofuran-3,4'-piperidine]
Molecular weight309.409
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.0
SynonymsBDBM50108659
1'-benzyl-3-methoxy-3h-spiro[[2]benzofuran-1,4'-piperidine]
1'-Benzyl-3-methoxyspiro[isobenzofuran-1(3H),4'-piperidine]
1''-benzyl-3-methoxy-3H-spiro[2-benzofuran-1,4''-piperidine]
1''-benzyl-3-methoxy-3H-spiro[isobenzofuran-1,4''-piperidine]
[ Show all ]
Inchi KeyRZZAEVQHACUOGI-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H23NO2/c1-22-19-17-9-5-6-10-18(17)20(23-19)11-13-21(14-12-20)15-16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3
PubChem CID10357986
ChEMBLCHEMBL138809
IUPHARN/A
BindingDB50108659
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: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3092615-hydroxytryptamine receptor 1AQ64264Htr1aMus musculus (Mouse)421
3092625-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
309258Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
309256D(1A) dopamine receptorQ61616Drd1Mus musculus (Mouse)446
309263D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
309259Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
309257Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
309255Substance-K receptorP21452TACR2Homo sapiens (Human)398
309260Substance-P receptorP25103TACR1Homo sapiens (Human)407

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