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Ligand

NameCHEMBL112325
Molecular formulaC26H34N2O6
IUPAC name(2R,3R,4S)-4-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
Molecular weight470.566
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP0.9
SynonymsBDBM50056059
(2R,3R,4S)-4-(2,4-Dimethoxy-phenyl)-2-(4-methoxy-phenyl)-1-[(methyl-propyl-carbamoyl)-methyl]-pyrrolidine-3-carboxylic acid
Inchi KeyDNIGUSWIAUIEJP-SDUSCBPUSA-N
Inchi IDInChI=1S/C26H34N2O6/c1-6-13-27(2)23(29)16-28-15-21(20-12-11-19(33-4)14-22(20)34-5)24(26(30)31)25(28)17-7-9-18(32-3)10-8-17/h7-12,14,21,24-25H,6,13,15-16H2,1-5H3,(H,30,31)/t21-,24-,25+/m1/s1
PubChem CID10814222
ChEMBLCHEMBL112325
IUPHARN/A
BindingDB50056059
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
64385Endothelin receptor type BP35463EDNRBSus scrofa (Pig)443
64384Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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