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Ligand

NameCHEMBL1255606
Molecular formulaC19H27N3O6
IUPAC name(1-butylpiperidin-4-yl)methyl 5-amino-6-nitro-2,3-dihydro-1,4-benzodioxine-8-carboxylate
Molecular weight393.44
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM50327875
(1-Butylpiperidin-4-yl)methyl 8-Amino-7-nitro-2,3-dihydrobenzo-[b][1,4]dioxine-5-carboxylate
Inchi KeyAEUGQTCHMZAAES-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H27N3O6/c1-2-3-6-21-7-4-13(5-8-21)12-28-19(23)14-11-15(22(24)25)16(20)18-17(14)26-9-10-27-18/h11,13H,2-10,12,20H2,1H3
PubChem CID49780155
ChEMBLCHEMBL1255606
IUPHARN/A
BindingDB50327875
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
38445-hydroxytryptamine receptor 4Q13639HTR4Homo sapiens (Human)388

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