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Ligand

NameCHEMBL109736
Molecular formulaC26H32N2O5
IUPAC name(2R,3R,4S)-4-(2,3-dihydro-1-benzofuran-5-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
SynonymsBDBM50056062
(2R,3R,4S)-4-(2,3-Dihydro-benzofuran-5-yl)-2-(4-methoxy-phenyl)-1-[(methyl-propyl-carbamoyl)-methyl]-pyrrolidine-3-carboxylic acid
Inchi KeyADJHJKMXYNCUIT-SDUSCBPUSA-N
Inchi IDInChI=1S/C26H32N2O5/c1-4-12-27(2)23(29)16-28-15-21(18-7-10-22-19(14-18)11-13-33-22)24(26(30)31)25(28)17-5-8-20(32-3)9-6-17/h5-10,14,21,24-25H,4,11-13,15-16H2,1-3H3,(H,30,31)/t21-,24-,25+/m1/s1
PubChem CID10837347
ChEMBLCHEMBL109736
IUPHARN/A
BindingDB50056062
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
2361Endothelin receptor type BP35463EDNRBSus scrofa (Pig)443
2362Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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