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Ligand

NameCHEMBL209139
Molecular formulaC23H30N2O3S
IUPAC name1-(benzenesulfonyl)-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline
Molecular weight414.564
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.2
SynonymsBDBM50186286
SCHEMBL6109532
1-(phenylsulfonyl)-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroquinoline
Inchi KeyALVOJCHAICRHNH-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H30N2O3S/c26-29(27,22-10-3-1-4-11-22)25-17-7-9-20-12-13-21(19-23(20)25)28-18-8-16-24-14-5-2-6-15-24/h1,3-4,10-13,19H,2,5-9,14-18H2
PubChem CID10364480
ChEMBLCHEMBL209139
IUPHARN/A
BindingDB50186286
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
8605Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445

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