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Ligand

NameCHEMBL113379
Molecular formulaC26H32N2O5
IUPAC name(2R,3R,4S)-4-(2,3-dihydro-1-benzofuran-6-yl)-2-(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
Molecular weight452.551
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP1.0
SynonymsBDBM50056074
(2R,3R,4S)-4-(2,3-Dihydro-benzofuran-6-yl)-2-(4-methoxy-phenyl)-1-[(methyl-propyl-carbamoyl)-methyl]-pyrrolidine-3-carboxylic acid
Inchi KeyBHWBLIBWKKBWQB-SDUSCBPUSA-N
Inchi IDInChI=1S/C26H32N2O5/c1-4-12-27(2)23(29)16-28-15-21(19-6-5-17-11-13-33-22(17)14-19)24(26(30)31)25(28)18-7-9-20(32-3)10-8-18/h5-10,14,21,24-25H,4,11-13,15-16H2,1-3H3,(H,30,31)/t21-,24-,25+/m1/s1
PubChem CID10766067
ChEMBLCHEMBL113379
IUPHARN/A
BindingDB50056074
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
24153Endothelin receptor type BP35463EDNRBSus scrofa (Pig)443
24152Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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