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Ligand

NameCHEMBL1672881
Molecular formulaC38H42FN3O12
IUPAC name3-(1,3-benzodioxol-5-yl)-4-[[3-[[1-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-4,5-dimethoxyphenyl]methyl]-5-hydroxy-5-(4-methoxyphenyl)furan-2-one
Molecular weight751.761
Hydrogen bond acceptor15
Hydrogen bond donor1
XlogP3.1
SynonymsBDBM50336695
3-Benzo[1,3]dioxol-5-yl-4-{3-[1-(2-{2-[2-(2-fluoroethoxy)ethoxy]-ethoxy}ethyl)-1H-1,2,3-triazol-4-ylmethoxy]-4,5-dimethoxybenzyl}-5-hydroxy-5-(4-methoxyphenyl)-5H-furan-2-one
Inchi KeyMNTUQBKGVBUMOH-UHFFFAOYSA-N
Inchi IDInChI=1S/C38H42FN3O12/c1-45-29-7-5-27(6-8-29)38(44)30(35(37(43)54-38)26-4-9-31-32(21-26)53-24-52-31)18-25-19-33(46-2)36(47-3)34(20-25)51-23-28-22-42(41-40-28)11-13-49-15-17-50-16-14-48-12-10-39/h4-9,19-22,44H,10-18,23-24H2,1-3H3
PubChem CID51003307
ChEMBLCHEMBL1672881
IUPHARN/A
BindingDB50336695
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
210058Endothelin receptor type BP48302EdnrbMus musculus (Mouse)442
210057Endothelin-1 receptorQ61614EdnraMus musculus (Mouse)427

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