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Ligand

NameCHEMBL604286
Molecular formulaC29H27FO9
IUPAC name3-(1,3-benzodioxol-5-yl)-5-[4-(2-fluoroethoxy)phenyl]-5-hydroxy-4-[(3,4,5-trimethoxyphenyl)methyl]furan-2-one
Molecular weight538.524
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50304498
3-Benzo[1,3]dioxol-5-yl-5-[4-(2-fluoroethoxy)phenyl]-5-hydroxy-4-(3,4,5-trimethoxybenzyl)-5H-furan-2-one
Inchi KeyUOCWQSCYEUUPBJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H27FO9/c1-33-24-13-17(14-25(34-2)27(24)35-3)12-21-26(18-4-9-22-23(15-18)38-16-37-22)28(31)39-29(21,32)19-5-7-20(8-6-19)36-11-10-30/h4-9,13-15,32H,10-12,16H2,1-3H3
PubChem CID45257115
ChEMBLCHEMBL604286
IUPHARN/A
BindingDB50304498
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
341478Endothelin receptor type BP48302EdnrbMus musculus (Mouse)442
341479Endothelin-1 receptorQ61614EdnraMus musculus (Mouse)427

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