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Ligand

NameCHEMBL439968
Molecular formulaC25H28N2O3
IUPAC name2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]benzoic acid
Molecular weight404.51
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.5
SynonymsSCHEMBL684147
4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-1,1'-biphenyl-2-carboxylic acid
4''-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-ylmethyl)-biphenyl-2-carboxylic acid
BDBM50042234
Inchi KeyGJBPPMVTBDRYFK-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H28N2O3/c1-2-3-10-22-26-25(15-6-7-16-25)24(30)27(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23(28)29/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,28,29)
PubChem CID10069786
ChEMBLCHEMBL439968
IUPHARN/A
BindingDB50042234
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
97769Type-1B angiotensin II receptorP29089Agtr1bRattus norvegicus (Rat)359

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