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Ligand

NameCHEMBL10860
Molecular formulaC28H21NO6
IUPAC name3-(1,3-benzodioxol-5-yl)-5-hydroxy-4-(isoquinolin-1-ylmethyl)-5-(4-methoxyphenyl)furan-2-one
Molecular weight467.477
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.3
Synonyms3-Benzo[1,3]dioxol-5-yl-5-hydroxy-4-isoquinolin-1-ylmethyl-5-(4-methoxy-phenyl)-5H-furan-2-one
BDBM50057165
Inchi KeyAFZSZVWTPJVSMZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H21NO6/c1-32-20-9-7-19(8-10-20)28(31)22(15-23-21-5-3-2-4-17(21)12-13-29-23)26(27(30)35-28)18-6-11-24-25(14-18)34-16-33-24/h2-14,31H,15-16H2,1H3
PubChem CID10671928
ChEMBLCHEMBL10860
IUPHARN/A
BindingDB50057165
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
4670Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
4671Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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