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Ligand

NameSCHEMBL931549
Molecular formulaC29H32N4O3
IUPAC nameN-[2-(3-methoxyphenyl)ethyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
Molecular weight484.6
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.7
SynonymsCHEMBL3647276
BDBM136332
US8859534, 18
Inchi KeyXZAFUXOIMPHIRT-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H32N4O3/c1-35-25-9-4-6-22(20-25)11-14-31-29(34)27-21-23-7-5-10-26(28(23)36-27)33-18-16-32(17-19-33)15-12-24-8-2-3-13-30-24/h2-10,13,20-21H,11-12,14-19H2,1H3,(H,31,34)
PubChem CID59636764
ChEMBLCHEMBL3647276
IUPHARN/A
BindingDB136332
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
4043015-hydroxytryptamine receptor 1BP46636HTR1BCricetulus griseus (Chinese hamster)386

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