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Ligand

NameCHEMBL143937
Molecular formulaC18H21N3O2
IUPAC name6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-6,7-dihydro-5H-1-benzofuran-4-one
Molecular weight311.385
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP1.9
Synonyms6,7-Dihydro-6-[[4-(2-pyridinyl)piperazino]methyl]benzofuran-4(5H)-one
BDBM50409061
Inchi KeyIVSGQJPRVWTHND-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H21N3O2/c22-16-11-14(12-17-15(16)4-10-23-17)13-20-6-8-21(9-7-20)18-3-1-2-5-19-18/h1-5,10,14H,6-9,11-13H2
PubChem CID10804995
ChEMBLCHEMBL143937
IUPHARN/A
BindingDB50409061
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: 4
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GLASS IDNameUniProtGeneSpeciesLength
1429355-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
1429345-hydroxytryptamine receptor 2BP30994Htr2bRattus norvegicus (Rat)479
1429325-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
142933D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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