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Ligand

NameCHEMBL141209
Molecular formulaC21H25NO2
IUPAC name1'-benzyl-3-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]
Molecular weight323.436
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.5
SynonymsBDBM50108653
AKOS027346206
1'-Benzyl-3-methoxyspiro[isochroman-1,4'-piperidine]
1''-benzyl-3-methoxyspiro[isochroman-1,4''-piperidine]
1'-Benzyl-3-methoxy-3,4-dihydrospiro[1H-2-benzopyran-1,4'-piperidine]
[ Show all ]
Inchi KeyPOOPPNNSPMKABZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H25NO2/c1-23-20-15-18-9-5-6-10-19(18)21(24-20)11-13-22(14-12-21)16-17-7-3-2-4-8-17/h2-10,20H,11-16H2,1H3
PubChem CID10019102
ChEMBLCHEMBL141209
IUPHARN/A
BindingDB50108653
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
2649225-hydroxytryptamine receptor 1AQ64264Htr1aMus musculus (Mouse)421
2649235-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
264925Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
264917D(1A) dopamine receptorQ61616Drd1Mus musculus (Mouse)446
264921D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
264924Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
264919Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
264918Substance-K receptorP21452TACR2Homo sapiens (Human)398
264920Substance-P receptorP25103TACR1Homo sapiens (Human)407

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