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Ligand

NameSCHEMBL931161
Molecular formulaC27H29N5O2
IUPAC nameN-methyl-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide
Molecular weight455.562
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.4
SynonymsCHEMBL3647279
BDBM136335
US8859534, 21
Inchi KeyICBLNAUTYHYELQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H29N5O2/c1-30(20-21-6-5-11-28-19-21)27(33)25-18-22-7-4-9-24(26(22)34-25)32-16-14-31(15-17-32)13-10-23-8-2-3-12-29-23/h2-9,11-12,18-19H,10,13-17,20H2,1H3
PubChem CID59636760
ChEMBLCHEMBL3647279
IUPHARN/A
BindingDB136335
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
1296255-hydroxytryptamine receptor 1BP46636HTR1BCricetulus griseus (Chinese hamster)386

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