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Ligand

NameCHEMBL1672882
Molecular formulaC51H61FN4O17
IUPAC name3-(1,3-benzodioxol-5-yl)-4-[[3-[2-[2-[2-[2-[[1-[2-[2-[2-[2-(2-fluoropyridin-3-yl)oxyethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4,5-dimethoxyphenyl]methyl]-5-hydroxy-5-(4-methoxyphenyl)furan-2-one
Molecular weight1021.06
Hydrogen bond acceptor21
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM50336696
3-Benzo[1,3]dioxol-5-yl-4-[3-(2-{2-[2-(2-{1-[2-(2-{2-[2-(2-fluoropyridin-3-yloxy)ethoxy]ethoxy}ethoxy)-ethyl]-1H-1,2,3-triazol-4-ylmethoxy}ethoxy)ethoxy]ethoxy}ethoxy)-4,5-dimethoxybenzyl]-5-hydroxy-5-(4-methoxyphenyl)-5H-furan-2-one
Inchi KeyFKMCDNBBXIHJCM-UHFFFAOYSA-N
Inchi IDInChI=1S/C51H61FN4O17/c1-59-40-9-7-38(8-10-40)51(58)41(47(50(57)73-51)37-6-11-42-44(32-37)72-35-71-42)29-36-30-45(60-2)48(61-3)46(31-36)70-28-26-67-22-20-64-17-18-65-23-24-68-34-39-33-56(55-54-39)13-14-62-15-16-63-19-21-66-25-27-69-43-5-4-12-53-49(43)52/h4-12,30-33,58H,13-29,34-35H2,1-3H3
PubChem CID51003352
ChEMBLCHEMBL1672882
IUPHARN/A
BindingDB50336696
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
80618Endothelin receptor type BP48302EdnrbMus musculus (Mouse)442
80617Endothelin-1 receptorQ61614EdnraMus musculus (Mouse)427

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