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Ligand

NameCHEMBL469593
Molecular formulaC18H23N3OS
IUPAC name3-methyl-8-(3-piperidin-1-ylpropoxy)-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
Molecular weight329.462
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.8
SynonymsBDBM50413541
Inchi KeyCEQAFGRUCFGESC-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H23N3OS/c1-14-13-23-18-16(14)21-11-5-7-15(21)17(19-18)22-12-6-10-20-8-3-2-4-9-20/h5,7,11,13H,2-4,6,8-10,12H2,1H3
PubChem CID44592186
ChEMBLCHEMBL469593
IUPHARN/A
BindingDB50413541
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
401395-hydroxytryptamine receptor 4O70528HTR4Cavia porcellus (Guinea pig)388

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