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Ligand

NameCHEMBL56349
Molecular formulaC26H21NO6
IUPAC name2-[4-(1,3-benzodioxol-5-yl)-1-[(2-methoxyphenyl)methyl]-2-oxoquinolin-3-yl]acetic acid
Molecular weight443.455
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.4
SynonymsSCHEMBL6314927
[4-Benzo[1,3]dioxol-5-yl-1-(2-methoxy-benzyl)-2-oxo-1,2-dihydro-quinolin-3-yl]-acetic acid
BDBM50289736
L016184
Inchi KeyAKHRQANJSKGZGG-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H21NO6/c1-31-21-9-5-2-6-17(21)14-27-20-8-4-3-7-18(20)25(19(26(27)30)13-24(28)29)16-10-11-22-23(12-16)33-15-32-22/h2-12H,13-15H2,1H3,(H,28,29)
PubChem CID18936180
ChEMBLCHEMBL56349
IUPHARN/A
BindingDB50289736
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
7556Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
7555Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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