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Ligand

NameCHEMBL3914758
Molecular formulaC27H32ClN3O5
IUPAC name3-(4-chlorophenyl)-3-[[3-methyl-4-[2-(3-methyl-2,6-dioxopyrimidin-1-yl)ethoxy]phenyl]methyl-propylamino]propanoic acid
Molecular weight514.019
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP1.5
SynonymsSCHEMBL15546853
Inchi KeyBRFOKOHQJVNCED-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H32ClN3O5/c1-4-12-30(23(17-26(33)34)21-6-8-22(28)9-7-21)18-20-5-10-24(19(2)16-20)36-15-14-31-25(32)11-13-29(3)27(31)35/h5-11,13,16,23H,4,12,14-15,17-18H2,1-3H3,(H,33,34)
PubChem CID72549595
ChEMBLCHEMBL3914758
IUPHARN/A
BindingDB249685
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
536772C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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