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Ligand

NameSCHEMBL3785805
Molecular formulaC28H30N4O4S
IUPAC nameN-[(4-methylsulfonylphenyl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
Molecular weight518.632
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.5
SynonymsCHEMBL3647262
SLNHQLGUTOBGID-UHFFFAOYSA-N
BDBM136318
N-(4-(Methylsulfonyl)benzyl)-7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide
US8859534, 4
Inchi KeySLNHQLGUTOBGID-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H30N4O4S/c1-37(34,35)24-10-8-21(9-11-24)20-30-28(33)26-19-22-5-4-7-25(27(22)36-26)32-17-15-31(16-18-32)14-12-23-6-2-3-13-29-23/h2-11,13,19H,12,14-18,20H2,1H3,(H,30,33)
PubChem CID59636750
ChEMBLCHEMBL3647262
IUPHARN/A
BindingDB136318
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3173425-hydroxytryptamine receptor 1BP46636HTR1BCricetulus griseus (Chinese hamster)386

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