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Ligand

NameSCHEMBL931585
Molecular formulaC28H27N5O2
IUPAC nameN-[(4-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
SynonymsCHEMBL3647267
US8859534, 9
BDBM136323
N-(4-Cyanobenzyl)-7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide
VRJKPPUSDZXOLR-UHFFFAOYSA-N
Inchi KeyVRJKPPUSDZXOLR-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H27N5O2/c29-19-21-7-9-22(10-8-21)20-31-28(34)26-18-23-4-3-6-25(27(23)35-26)33-16-14-32(15-17-33)13-11-24-5-1-2-12-30-24/h1-10,12,18H,11,13-17,20H2,(H,31,34)
PubChem CID59636703
ChEMBLCHEMBL3647267
IUPHARN/A
BindingDB136323
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
3623785-hydroxytryptamine receptor 1BP46636HTR1BCricetulus griseus (Chinese hamster)386

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