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Ligand

NameRoxindole
Molecular formulaC23H26N2O
IUPAC name3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-ol
Molecular weight346.474
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP4.6
Synonyms112192-04-8
UNII-43227SMS0O
3-(4-(3,6-Dihydro-4-phenyl-1(2H)-pyridinyl)butyl)-1H-indol-5-ol
3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-ol
CHEMBL431367
[ Show all ]
Inchi KeyHGEYJZMMUGWEOT-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H26N2O/c26-21-9-10-23-22(16-21)20(17-24-23)8-4-5-13-25-14-11-19(12-15-25)18-6-2-1-3-7-18/h1-3,6-7,9-11,16-17,24,26H,4-5,8,12-15H2
PubChem CID219050
ChEMBLCHEMBL431367
IUPHAR52
BindingDB50002173
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: 25
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
1140095-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
1140145-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
5538265-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
1140025-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
1140225-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
1140125-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
1140165-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
114013Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
114020Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
114007Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
114011Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
114025Alpha-2A adrenergic receptorP22909Adra2aRattus norvegicus (Rat)450
114005Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
114006Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
114017Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
114010Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
114004D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
114021D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
114008D(1B) dopamine receptorP21918DRD5Homo sapiens (Human)477
114003D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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