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Ligand

NameCHEMBL2013044
Molecular formulaC24H36N2O4S
IUPAC name1'-cyclobutyl-6-(1-ethylsulfonylpiperidin-4-yl)oxyspiro[3,4-dihydrochromene-2,4'-piperidine]
Molecular weight448.622
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.8
SynonymsBDBM50379615
SCHEMBL11918578
Inchi KeyALERLARPNYHRKG-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H36N2O4S/c1-2-31(27,28)26-14-9-21(10-15-26)29-22-6-7-23-19(18-22)8-11-24(30-23)12-16-25(17-13-24)20-4-3-5-20/h6-7,18,20-21H,2-5,8-17H2,1H3
PubChem CID58198951
ChEMBLCHEMBL2013044
IUPHARN/A
BindingDB50379615
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8180Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445
8181Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445

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