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Ligand

NameSCHEMBL931619
Molecular formulaC27H28N4O3
IUPAC nameN-[(3-hydroxyphenyl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
Molecular weight456.546
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.9
SynonymsBDBM136351
US8859534, 37
CHEMBL3650030
Inchi KeyPAQCZDXYXLCTFI-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H28N4O3/c32-23-8-3-5-20(17-23)19-29-27(33)25-18-21-6-4-9-24(26(21)34-25)31-15-13-30(14-16-31)12-10-22-7-1-2-11-28-22/h1-9,11,17-18,32H,10,12-16,19H2,(H,29,33)
PubChem CID59636761
ChEMBLCHEMBL3650030
IUPHARN/A
BindingDB136351
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
2550255-hydroxytryptamine receptor 1BP46636HTR1BCricetulus griseus (Chinese hamster)386

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