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Ligand

NameCHEMBL158147
Molecular formulaC18H25ClN2O3
IUPAC name2-(3-azabicyclo[3.2.2]nonan-3-yl)ethyl 4-amino-5-chloro-2-methoxybenzoate
Molecular weight352.859
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM50056402
4-Amino-5-chloro-2-methoxy-benzoic acid 2-(3-aza-bicyclo[3.2.2]non-3-yl)-ethyl ester
Inchi KeyBPGVSOWTLIHZTK-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H25ClN2O3/c1-23-17-9-16(20)15(19)8-14(17)18(22)24-7-6-21-10-12-2-3-13(11-21)5-4-12/h8-9,12-13H,2-7,10-11,20H2,1H3
PubChem CID10498232
ChEMBLCHEMBL158147
IUPHARN/A
BindingDB50056402
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
295465-hydroxytryptamine receptor 4Q62758Htr4Rattus norvegicus (Rat)406
295475-hydroxytryptamine receptor 4O70528HTR4Cavia porcellus (Guinea pig)388

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