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Ligand

NameCHEMBL10733
Molecular formulaC25H19ClO6
IUPAC name3-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methyl]-5-hydroxy-5-(4-methoxyphenyl)furan-2-one
Molecular weight450.871
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.7
SynonymsBDBM50034264
SCHEMBL8031926
3-Benzo[1,3]dioxol-5-yl-4-(4-chloro-benzyl)-5-hydroxy-5-(4-methoxy-phenyl)-5H-furan-2-one
Inchi KeyBIXNVCGHAZAOLY-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H19ClO6/c1-29-19-9-5-17(6-10-19)25(28)20(12-15-2-7-18(26)8-3-15)23(24(27)32-25)16-4-11-21-22(13-16)31-14-30-21/h2-11,13,28H,12,14H2,1H3
PubChem CID11744509
ChEMBLCHEMBL10733
IUPHARN/A
BindingDB50034264
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
24822Endothelin receptor type BP21451EdnrbRattus norvegicus (Rat)442
24823Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
24824Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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