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Ligand

NameCHEMBL417050
Molecular formulaC24H18O6
IUPAC name2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-2H-chromene-3-carboxylic acid
Molecular weight402.402
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.2
SynonymsBDBM50112723
2-Benzo[1,3]dioxol-5-yl-4-(4-methoxy-phenyl)-2H-chromene-3-carboxylic acid
Inchi KeyCFNXHTFSBOPIFW-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H18O6/c1-27-16-9-6-14(7-10-16)21-17-4-2-3-5-18(17)30-23(22(21)24(25)26)15-8-11-19-20(12-15)29-13-28-19/h2-12,23H,13H2,1H3,(H,25,26)
PubChem CID10916428
ChEMBLCHEMBL417050
IUPHARN/A
BindingDB50112723
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
40804Endothelin receptor type BP35463EDNRBSus scrofa (Pig)443
40805Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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