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Ligand

NameCHEMBL113611
Molecular formulaC30H40N2O6
IUPAC name(2R,3R,4S)-1-[2-(dibutylamino)-2-oxoethyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
Molecular weight524.658
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.3
Synonyms(2R,3R,4S)-1-Dibutylcarbamoylmethyl-4-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
1-Dibutylcarbamoylmethyl-4-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
BDBM50056057
2beta-(4-Methoxyphenyl)-4beta-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(dibutylcarbamoylmethyl)pyrrolidine-3alpha-carboxylic acid
Inchi KeyDFPCVVZATIUBJZ-USOMCTOXSA-N
Inchi IDInChI=1S/C30H40N2O6/c1-4-6-14-31(15-7-5-2)27(33)20-32-19-24(22-10-13-25-26(18-22)38-17-16-37-25)28(30(34)35)29(32)21-8-11-23(36-3)12-9-21/h8-13,18,24,28-29H,4-7,14-17,19-20H2,1-3H3,(H,34,35)/t24-,28-,29+/m1/s1
PubChem CID10673644
ChEMBLCHEMBL113611
IUPHARN/A
BindingDB50056057
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
58767Endothelin receptor type BP35463EDNRBSus scrofa (Pig)443
58769Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
58768Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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