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Ligand

NameCHEMBL172071
Molecular formulaC26H33N5O7S2
IUPAC nameN-[2-cyclopropyl-6-[2-(ethylsulfonylamino)ethoxy]-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide
Molecular weight591.698
Hydrogen bond acceptor12
Hydrogen bond donor2
XlogP3.3
SynonymsN-[2-[2-Cyclopropyl-5-(2-methoxyphenoxy)6-(5-isopropyl-2-pyridinylsulfonylamino)-4-pyrimidinyloxy]ethyl]ethanesulfonamide
5-i-propyl-N-[6-(2-ethanesulfonylamino-ethoxy)-5-(o-methoxyphenoxy)-2-cyclopropyl-pyrimidin-4-yl]-pyridine-2-sulfonamide
SCHEMBL7196209
BDBM50124428
GWBCKOWLDKFIHO-UHFFFAOYSA-N
[ Show all ]
Inchi KeyGWBCKOWLDKFIHO-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H33N5O7S2/c1-5-39(32,33)28-14-15-37-26-23(38-21-9-7-6-8-20(21)36-4)25(29-24(30-26)18-10-11-18)31-40(34,35)22-13-12-19(16-27-22)17(2)3/h6-9,12-13,16-18,28H,5,10-11,14-15H2,1-4H3,(H,29,30,31)
PubChem CID9873255
ChEMBLCHEMBL172071
IUPHARN/A
BindingDB50124428
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.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
106736Endothelin receptor type BP21451EdnrbRattus norvegicus (Rat)442
106738Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
106737Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427
106739Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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