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Ligand

NameCHEMBL123997
Molecular formulaC32H36N2O6
IUPAC name(2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(2-ethyl-6-propylanilino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
Molecular weight544.648
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.4
Synonyms(2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2-ethyl-6-propyl-phenylcarbamoyl)-methyl]-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
BDBM50080585
1-[[(2-Ethyl-6-propylphenyl)carbamoyl]methyl]-2beta-(4-methoxyphenyl)-4beta-(1,3-benzodioxole-5-yl)pyrrolidine-3alpha-carboxylic acid
Inchi KeyAPXDEEHRWJDGMC-ICTSCBFQSA-N
Inchi IDInChI=1S/C32H36N2O6/c1-4-7-21-9-6-8-20(5-2)30(21)33-28(35)18-34-17-25(23-12-15-26-27(16-23)40-19-39-26)29(32(36)37)31(34)22-10-13-24(38-3)14-11-22/h6,8-16,25,29,31H,4-5,7,17-19H2,1-3H3,(H,33,35)(H,36,37)/t25-,29-,31+/m1/s1
PubChem CID10602620
ChEMBLCHEMBL123997
IUPHARN/A
BindingDB50080585
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
11424Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
11425Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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