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Ligand

NameSCHEMBL932078
Molecular formulaC28H27N5O2
IUPAC nameN-[(3-cyanophenyl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
Molecular weight465.557
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.0
SynonymsBDBM136336
US8859534, 22
CHEMBL3647280
Inchi KeyGGYONIYRPREPSV-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H27N5O2/c29-19-21-5-3-6-22(17-21)20-31-28(34)26-18-23-7-4-9-25(27(23)35-26)33-15-13-32(14-16-33)12-10-24-8-1-2-11-30-24/h1-9,11,17-18H,10,12-16,20H2,(H,31,34)
PubChem CID59636741
ChEMBLCHEMBL3647280
IUPHARN/A
BindingDB136336
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
961625-hydroxytryptamine receptor 1BP46636HTR1BCricetulus griseus (Chinese hamster)386

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