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Ligand

NameCHEMBL1672884
Molecular formulaC45H49FN4O14S
IUPAC nameN-[[1-[2-[2-[2-[2-[5-[[4-(1,3-benzodioxol-5-yl)-2-hydroxy-2-(4-methoxyphenyl)-5-oxofuran-3-yl]methyl]-2,3-dimethoxyphenoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-4-fluoro-N-methylbenzenesulfonamide
Molecular weight920.959
Hydrogen bond acceptor18
Hydrogen bond donor1
XlogP3.7
SynonymsBDBM50336699
N-[1-(2-{2-[2-(2-{5-[4-Benzo[1,3]dioxol-5-yl-2-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydrofuran-3-ylmethyl]-2,3-dimethoxyphenoxy}ethoxy)ethoxy]ethoxy}ethyl)-1H-1,2,3-triazol-4-ylmethyl]-4-fluoro-N-methylbenzenesulfonamide
Inchi KeyWIOFPVOESNSLDC-UHFFFAOYSA-N
Inchi IDInChI=1S/C45H49FN4O14S/c1-49(65(53,54)36-12-8-33(46)9-13-36)27-34-28-50(48-47-34)15-16-58-17-18-59-19-20-60-21-22-61-41-25-30(24-40(56-3)43(41)57-4)23-37-42(31-5-14-38-39(26-31)63-29-62-38)44(51)64-45(37,52)32-6-10-35(55-2)11-7-32/h5-14,24-26,28,52H,15-23,27,29H2,1-4H3
PubChem CID51003354
ChEMBLCHEMBL1672884
IUPHARN/A
BindingDB50336699
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
374268Endothelin receptor type BP48302EdnrbMus musculus (Mouse)442
374269Endothelin-1 receptorQ61614EdnraMus musculus (Mouse)427

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