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Ligand

NameCHEMBL174094
Molecular formulaC29H28N4O5S
IUPAC name4-tert-butyl-N-[5-(2-methoxyphenoxy)-6-prop-2-ynoxy-2-pyridin-4-ylpyrimidin-4-yl]benzenesulfonamide
Molecular weight544.626
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP5.2
SynonymsBDBM50124479
4-tert-Butyl-N-[5-(2-methoxy-phenoxy)-6-prop-2-ynyloxy-2-pyridin-4-yl-pyrimidin-4-yl]-benzenesulfonamide
Inchi KeyBUZZXSDSIRQVKH-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H28N4O5S/c1-6-19-37-28-25(38-24-10-8-7-9-23(24)36-5)27(31-26(32-28)20-15-17-30-18-16-20)33-39(34,35)22-13-11-21(12-14-22)29(2,3)4/h1,7-18H,19H2,2-5H3,(H,31,32,33)
PubChem CID44384852
ChEMBLCHEMBL174094
IUPHARN/A
BindingDB50124479
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
33531Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
33530Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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