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Ligand

NameSCHEMBL931086
Molecular formulaC22H25BrN4O2
IUPAC name4-bromo-N,N-dimethyl-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
Molecular weight457.372
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.7
SynonymsCHEMBL3650046
BTFWJDZGWBIYQQ-UHFFFAOYSA-N
4-Bromo-N,N-dimethyl-7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide
US8859534, 53
BDBM136367
Inchi KeyBTFWJDZGWBIYQQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H25BrN4O2/c1-25(2)22(28)20-15-17-18(23)6-7-19(21(17)29-20)27-13-11-26(12-14-27)10-8-16-5-3-4-9-24-16/h3-7,9,15H,8,10-14H2,1-2H3
PubChem CID59636718
ChEMBLCHEMBL3650046
IUPHARN/A
BindingDB136367
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
322965-hydroxytryptamine receptor 1BP46636HTR1BCricetulus griseus (Chinese hamster)386

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