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Ligand

NameSCHEMBL932062
Molecular formulaC23H25F3N4O2
IUPAC nameN,N-dimethyl-7-[4-[2-[6-(trifluoromethyl)pyridin-2-yl]ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
Molecular weight446.474
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP3.9
SynonymsN,N-dimethyl-7-(4-(2-(6-(trifluoromethyl)pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide
CHEMBL3650035
BDBM136356
KIBCJAHEQRCNSO-UHFFFAOYSA-N
US8859534, 42
Inchi KeyKIBCJAHEQRCNSO-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H25F3N4O2/c1-28(2)22(31)19-15-16-5-3-7-18(21(16)32-19)30-13-11-29(12-14-30)10-9-17-6-4-8-20(27-17)23(24,25)26/h3-8,15H,9-14H2,1-2H3
PubChem CID59636779
ChEMBLCHEMBL3650035
IUPHARN/A
BindingDB136356
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
1696625-hydroxytryptamine receptor 1BP46636HTR1BCricetulus griseus (Chinese hamster)386

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