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Ligand

NameCHEMBL136871
Molecular formulaC31H30BrN5O4S2
IUPAC nameN-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-methylphenyl)-2-thiophen-2-ylpyrimidin-4-yl]-4-tert-butylbenzenesulfonamide
Molecular weight680.636
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP7.4
SynonymsN-{6-[2-(5-Bromo-pyrimidin-2-yloxy)-ethoxy]-2-thiophen-2-yl-5-p-tolyl-pyrimidin-4-yl}-4-tert-butyl-benzenesulfonamide
BDBM50107553
N-[2-(2-Thienyl)-5-(4-methylphenyl)-6-[2-(5-bromo-2-pyrimidinyloxy)ethoxy]-4-pyrimidinyl]-4-(tert-butyl)benzenesulfonamide
Inchi KeyGOFLEZZSYRHWQC-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H30BrN5O4S2/c1-20-7-9-21(10-8-20)26-28(37-43(38,39)24-13-11-22(12-14-24)31(2,3)4)35-27(25-6-5-17-42-25)36-29(26)40-15-16-41-30-33-18-23(32)19-34-30/h5-14,17-19H,15-16H2,1-4H3,(H,35,36,37)
PubChem CID44380952
ChEMBLCHEMBL136871
IUPHARN/A
BindingDB50107553
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
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GLASS IDNameUniProtGeneSpeciesLength
101151Endothelin-1 receptorQ29010EDNRASus scrofa (Pig)427

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