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Ligand

NameIloperidone
Molecular formulaC24H27FN2O4
IUPAC name1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone
Molecular weight426.488
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.1
Synonyms(non-Isotopelabelled)Iloperidone-d6
1-(4-(3-(4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)propoxy)-3-methoxyphenyl)ethanone
1-(4-(3-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)propoxy)-3-methoxyphenyl)ethan-1-one
1-(4-(3-(4-(6-Fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)propoxy)-3-methoxyphenyl)ethanone
1-(4-{3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy}-3-methoxyphenyl)ethan-1-one
[ Show all ]
Inchi KeyXMXHEBAFVSFQEX-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3
PubChem CID71360
ChEMBLCHEMBL14376
IUPHAR87
BindingDB50034043
DrugBankDB04946

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 47
Page:  / 3 

GLASS IDNameUniProtGeneSpeciesLength
3959935-hydroxytryptamine receptor 1AQ64264Htr1aMus musculus (Mouse)421
3960005-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
5552655-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
3960215-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
3960045-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
3960155-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
3960285-hydroxytryptamine receptor 2AQ75Z89HTR2ABos taurus (Bovine)470
5571405-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
3959895-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
3960055-hydroxytryptamine receptor 6P31388Htr6Rattus norvegicus (Rat)436
3960135-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
3960035-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
5552665-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448
395990Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
396025Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
396019Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
396008Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
395986Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
395998Alpha-2A adrenergic receptorP22909Adra2aRattus norvegicus (Rat)450
395999Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450

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