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Ligand

NameCHEMBL500336
Molecular formulaC16H19N3OS
IUPAC name8-(2-piperidin-2-ylethoxy)-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
Molecular weight301.408
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.0
SynonymsBDBM50413525
Inchi KeyDAKJEJKRHITXAV-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H19N3OS/c1-2-8-17-12(4-1)6-10-20-15-14-5-3-9-19(14)16-13(18-15)7-11-21-16/h3,5,7,9,11-12,17H,1-2,4,6,8,10H2
PubChem CID44592039
ChEMBLCHEMBL500336
IUPHARN/A
BindingDB50413525
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
551155-hydroxytryptamine receptor 4O70528HTR4Cavia porcellus (Guinea pig)388

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