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Ligand

NameCHEMBL113757
Molecular formulaC28H31N5O5S
IUPAC name4-tert-butyl-N-[6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]-5-(4-methylphenyl)pyrimidin-4-yl]benzenesulfonamide
Molecular weight549.646
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP5.3
SynonymsBDBM50105034
4-tert-Butyl-N-{6-[2-(5-methoxy-pyrimidin-2-yloxy)-ethoxy]-5-p-tolyl-pyrimidin-4-yl}-benzenesulfonamide
N-[5-(4-Methylphenyl)-6-[2-(5-methoxy-2-pyrimidinyloxy)ethoxy]-4-pyrimidinyl]-4-tert-butylbenzenesulfonamide
Inchi KeyAFDNMXWXTQCYFD-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H31N5O5S/c1-19-6-8-20(9-7-19)24-25(33-39(34,35)23-12-10-21(11-13-23)28(2,3)4)31-18-32-26(24)37-14-15-38-27-29-16-22(36-5)17-30-27/h6-13,16-18H,14-15H2,1-5H3,(H,31,32,33)
PubChem CID10886132
ChEMBLCHEMBL113757
IUPHARN/A
BindingDB50105034
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4056Endothelin-1 receptorQ29010EDNRASus scrofa (Pig)427

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