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Ligand

NameCHEMBL8677
Molecular formulaC27H27NO6
IUPAC name(2S,3S,4R)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(2-phenoxyethyl)pyrrolidine-3-carboxylic acid
Molecular weight461.514
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.0
SynonymsBDBM50050995
1-(2-Phenoxyethyl)-2alpha-(4-methoxyphenyl)-4alpha-(1,3-benzodioxol-5-yl)pyrrolidine-3beta-carboxylic acid
(2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-phenyl)-1-(2-phenoxy-ethyl)-pyrrolidine-3-carboxylic acid
Inchi KeyBOCLUXAWCZGFFW-UCGXPXSYSA-N
Inchi IDInChI=1S/C27H27NO6/c1-31-20-10-7-18(8-11-20)26-25(27(29)30)22(19-9-12-23-24(15-19)34-17-33-23)16-28(26)13-14-32-21-5-3-2-4-6-21/h2-12,15,22,25-26H,13-14,16-17H2,1H3,(H,29,30)/t22-,25-,26+/m0/s1
PubChem CID10790183
ChEMBLCHEMBL8677
IUPHARN/A
BindingDB50050995
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
28648Endothelin receptor type BP35463EDNRBSus scrofa (Pig)443
28647Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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