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Ligand

NameCHEMBL114700
Molecular formulaC27H28BrN5O6S
IUPAC nameN-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(3-methoxyphenoxy)pyrimidin-4-yl]-4-tert-butylbenzenesulfonamide
Molecular weight630.514
Hydrogen bond acceptor11
Hydrogen bond donor1
XlogP5.7
SynonymsN-[6-[2-(5-Bromo-pyrimidin-2-yloxy)-ethoxy]-5-(3-methoxy-phenoxy)-pyrimidin-4-yl]-4-tert-butyl-benzenesulfonamide
BDBM50104992
N-[-6-{2-(5-bromopyrimidin-2-yloxy)ethoxy}-5-(3-methoxyphenoxy)pyrimidin-4-yl]-4-tert-butylbenzenesulfonamide
SCHEMBL8659134
N-[5-(3-Methoxyphenoxy)-6-[2-(5-bromo-2-pyrimidinyloxy)ethoxy]-4-pyrimidinyl]-4-tert-butylbenzenesulfonamide
[ Show all ]
Inchi KeyAGPLLYFPTUREDN-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H28BrN5O6S/c1-27(2,3)18-8-10-22(11-9-18)40(34,35)33-24-23(39-21-7-5-6-20(14-21)36-4)25(32-17-31-24)37-12-13-38-26-29-15-19(28)16-30-26/h5-11,14-17H,12-13H2,1-4H3,(H,31,32,33)
PubChem CID11006709
ChEMBLCHEMBL114700
IUPHARN/A
BindingDB50104992
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This 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
5098Endothelin-1 receptorQ29010EDNRASus scrofa (Pig)427

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