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Ligand

NameCHEMBL9212
Molecular formulaC25H30N2O6
IUPAC name(2S,3S,4R)-4-(1,3-benzodioxol-5-yl)-1-[2-(diethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
Molecular weight454.523
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP0.6
SynonymsBDBM50050969
(2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-1-diethylcarbamoylmethyl-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
Inchi KeyCSMRGHZZEGLTNF-WDJPJFJCSA-N
Inchi IDInChI=1S/C25H30N2O6/c1-4-26(5-2)22(28)14-27-13-19(17-8-11-20-21(12-17)33-15-32-20)23(25(29)30)24(27)16-6-9-18(31-3)10-7-16/h6-12,19,23-24H,4-5,13-15H2,1-3H3,(H,29,30)/t19-,23-,24+/m0/s1
PubChem CID10647372
ChEMBLCHEMBL9212
IUPHARN/A
BindingDB50050969
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
49577Endothelin receptor type BP35463EDNRBSus scrofa (Pig)443
49578Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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