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Ligand

NameCHEMBL62395
Molecular formulaC27H24O7
IUPAC name2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-6-propan-2-yloxy-2H-chromene-3-carboxylic acid
Molecular weight460.482
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.9
SynonymsSCHEMBL7943809
2-(1,3-Benzodioxole-5-yl)-4-(4-methoxyphenyl)-6-isopropoxy-2H-1-benzopyran-3-carboxylic acid
BDBM50112666
L017740
2-Benzo[1,3]dioxol-5-yl-6-isopropoxy-4-(4-methoxy-phenyl)-2H-chromene-3-carboxylic acid
Inchi KeyBATSJXIVNKJCKQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H24O7/c1-15(2)33-19-9-11-21-20(13-19)24(16-4-7-18(30-3)8-5-16)25(27(28)29)26(34-21)17-6-10-22-23(12-17)32-14-31-22/h4-13,15,26H,14H2,1-3H3,(H,28,29)
PubChem CID9933950
ChEMBLCHEMBL62395
IUPHARN/A
BindingDB50112666
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
19179Endothelin receptor type BP35463EDNRBSus scrofa (Pig)443
19178Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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