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Ligand

NameCHEMBL418667
Molecular formulaC21H20O6
IUPAC name2-(1,3-benzodioxol-5-yl)-4-butoxy-2H-chromene-3-carboxylic acid
Molecular weight368.385
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.9
Synonyms2-benzo[1,3]dioxol-5-yl-4-butoxy-2H-chromene-3-carboxylic Acid
BDBM50112714
Inchi KeyBTOPOJCWQODETP-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H20O6/c1-2-3-10-24-20-14-6-4-5-7-15(14)27-19(18(20)21(22)23)13-8-9-16-17(11-13)26-12-25-16/h4-9,11,19H,2-3,10,12H2,1H3,(H,22,23)
PubChem CID11728313
ChEMBLCHEMBL418667
IUPHARN/A
BindingDB50112714
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
32516Endothelin receptor type BP35463EDNRBSus scrofa (Pig)443
32517Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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