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Ligand

NameCHEMBL367444
Molecular formulaC29H33N5O7S3
IUPAC nameN-[2-cyclopropyl-5-(2-methoxyphenoxy)-6-[3-(thiophen-2-ylsulfonylamino)propoxy]pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide
Molecular weight659.791
Hydrogen bond acceptor13
Hydrogen bond donor2
XlogP4.9
SynonymsSCHEMBL7194048
BDBM50124446
N-[3-[2-Cyclopropyl-5-(2-methoxyphenoxy)6-(5-isopropyl-2-pyridinylsulfonylamino)-4-pyrimidinyloxy]propyl]thiophene-2-sulfonamide
5-Isopropyl-pyridine-2-sulfonic acid {2-cyclopropyl-5-(2-methoxy-phenoxy)-6-[3-(thiophene-2-sulfonylamino)-propoxy]-pyrimidin-4-yl}-amide
Inchi KeyAEDJOIBTFWFFLB-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H33N5O7S3/c1-19(2)21-13-14-24(30-18-21)43(35,36)34-28-26(41-23-9-5-4-8-22(23)39-3)29(33-27(32-28)20-11-12-20)40-16-7-15-31-44(37,38)25-10-6-17-42-25/h4-6,8-10,13-14,17-20,31H,7,11-12,15-16H2,1-3H3,(H,32,33,34)
PubChem CID9917706
ChEMBLCHEMBL367444
IUPHARN/A
BindingDB50124446
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
3363Endothelin receptor type BP21451EdnrbRattus norvegicus (Rat)442
3364Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
3361Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426
3362Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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