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Ligand

NameCHEMBL335082
Molecular formulaC23H26N2O3S
IUPAC name1-(1-benzothiophen-3-yl)-3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propan-1-ol
Molecular weight410.532
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.8
SynonymsBDBM50118326
1-Benzo[b]thiophen-3-yl-3-[4-(2,3-dihydro-benzo[1,4]dioxin-5-yl)-piperazin-1-yl]-propan-1-ol;
Inchi KeyKPJPDPHSTNUEQY-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H26N2O3S/c26-20(18-16-29-22-7-2-1-4-17(18)22)8-9-24-10-12-25(13-11-24)19-5-3-6-21-23(19)28-15-14-27-21/h1-7,16,20,26H,8-15H2
PubChem CID10319395
ChEMBLCHEMBL335082
IUPHARN/A
BindingDB50118326
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1748065-hydroxytryptamine receptor 1AQ64264Htr1aMus musculus (Mouse)421
1748075-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422

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