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Ligand

NameCHEMBL1258338
Molecular formulaC20H29BrN2O4
IUPAC name(1-butylpiperidin-4-yl)methyl 6-bromo-5-(methylamino)-2,3-dihydro-1,4-benzodioxine-8-carboxylate
Molecular weight441.366
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.2
SynonymsBDBM50327869
(1-Butylpiperidin-4-yl)methyl 7-bromo-8-(methylamino)-2,3-dihydrobenzo[b][1,4]dioxine-5-carboxylate
Inchi KeyBRZHLRFZQBKXLX-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H29BrN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
PubChem CID49783210
ChEMBLCHEMBL1258338
IUPHARN/A
BindingDB50327869
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
314855-hydroxytryptamine receptor 4Q13639HTR4Homo sapiens (Human)388

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