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Ligand

NameCHEMBL138458
Molecular formulaC23H29NO2
IUPAC name3-methoxy-1'-(3-phenylpropyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]
Molecular weight351.49
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.3
SynonymsBDBM50108654
1'-(3-Phenylpropyl)-3-methoxy-3,4-dihydrospiro[1H-2-benzopyran-1,4'-piperidine]
1-[3-methoxyspiro[3,4-dihydro-1H-isochromene-1,4''-(hexahydropyridine)]-1-yl]-3-phenylpropane
Inchi KeyIJKYJDDNDXAREJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H29NO2/c1-25-22-18-20-11-5-6-12-21(20)23(26-22)13-16-24(17-14-23)15-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-12,22H,7,10,13-18H2,1H3
PubChem CID10915140
ChEMBLCHEMBL138458
IUPHARN/A
BindingDB50108654
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
1346905-hydroxytryptamine receptor 1AQ64264Htr1aMus musculus (Mouse)421
1346935-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
134695Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
134694D(1A) dopamine receptorQ61616Drd1Mus musculus (Mouse)446
134687D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
134688Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
134691Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
134689Substance-K receptorP21452TACR2Homo sapiens (Human)398
134692Substance-P receptorP25103TACR1Homo sapiens (Human)407

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