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Ligand

NameSCHEMBL943679
Molecular formulaC26H30N6O2
IUPAC nameN-[1-(2-methylpyrazol-3-yl)ethyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
Molecular weight458.566
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.0
SynonymsUS8859534, 32
CHEMBL3650025
BDBM136346
Inchi KeyXOVZEOLIOJODHZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H30N6O2/c1-19(22-9-12-28-30(22)2)29-26(33)24-18-20-6-5-8-23(25(20)34-24)32-16-14-31(15-17-32)13-10-21-7-3-4-11-27-21/h3-9,11-12,18-19H,10,13-17H2,1-2H3,(H,29,33)
PubChem CID59636748
ChEMBLCHEMBL3650025
IUPHARN/A
BindingDB136346
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
5327265-hydroxytryptamine receptor 1BP46636HTR1BCricetulus griseus (Chinese hamster)386

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