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Ligand

NameCHEMBL3900040
Molecular formulaC36H40N2O7
IUPAC name4-[[[cyclopentyl(2,3-dihydro-1-benzofuran-5-yl)methyl]-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-3-methoxyphenyl]methyl]amino]methyl]benzoic acid
Molecular weight612.723
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP2.7
SynonymsBDBM50200707
Inchi KeyBCCPZEORNLYAAK-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H40N2O7/c1-43-32-20-25(8-12-31(32)45-19-17-38-33(39)14-15-34(38)40)23-37(22-24-6-9-27(10-7-24)36(41)42)35(26-4-2-3-5-26)29-11-13-30-28(21-29)16-18-44-30/h6-13,20-21,26,35H,2-5,14-19,22-23H2,1H3,(H,41,42)
PubChem CID134134604
ChEMBLCHEMBL3900040
IUPHARN/A
BindingDB50200707
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
548118C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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