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Ligand

NameCHEMBL170493
Molecular formulaC32H31BrN6O4S
IUPAC nameN-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-methylphenyl)-2-pyridin-2-ylpyrimidin-4-yl]-4-tert-butylbenzenesulfonamide
Molecular weight675.602
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP6.6
SynonymsBDBM50107556
N-[2-(2-Pyridinyl)-5-(4-methylphenyl)-6-[2-(5-bromo-2-pyrimidinyloxy)ethoxy]-4-pyrimidinyl]-4-(tert-butyl)benzenesulfonamide
N-{6-[2-(5-Bromo-pyrimidin-2-yloxy)-ethoxy]-2-pyridin-2-yl-5-p-tolyl-pyrimidin-4-yl}-4-tert-butyl-benzenesulfonamide
Inchi KeyCILITEGULAWVQL-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H31BrN6O4S/c1-21-8-10-22(11-9-21)27-29(39-44(40,41)25-14-12-23(13-15-25)32(2,3)4)37-28(26-7-5-6-16-34-26)38-30(27)42-17-18-43-31-35-19-24(33)20-36-31/h5-16,19-20H,17-18H2,1-4H3,(H,37,38,39)
PubChem CID44381125
ChEMBLCHEMBL170493
IUPHARN/A
BindingDB50107556
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
42777Endothelin-1 receptorQ29010EDNRASus scrofa (Pig)427

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