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Ligand

NameCHEMBL168904
Molecular formulaC30H34BrN5O4S
IUPAC nameN-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-methylphenyl)-2-propylpyrimidin-4-yl]-4-tert-butylbenzenesulfonamide
Molecular weight640.597
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP7.2
Synonyms4-tert-butyl-N-[6-{2-(5-bromopyrimidin-2-yloxy)ethoxy)-5-(4-methylphenyl)-2-n-propylpyrimidin-4-yl]benzenesulfonamide
N-{6-[2-(5-Bromo-pyrimidin-2-yloxy)-ethoxy]-2-propyl-5-p-tolyl-pyrimidin-4-yl}-4-tert-butyl-benzenesulfonamide
BDBM50107559
4-tert-butyl-N-[6-{2-(5-bromopyrimidin-2-yloxy)ethoxy}-5-(4-methylphenyl)-2-n-propylpyrimidin-4-yl]benzenesulfonamide
SCHEMBL8662342
[ Show all ]
Inchi KeyBHSAHNPXJBATRX-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H34BrN5O4S/c1-6-7-25-34-27(36-41(37,38)24-14-12-22(13-15-24)30(3,4)5)26(21-10-8-20(2)9-11-21)28(35-25)39-16-17-40-29-32-18-23(31)19-33-29/h8-15,18-19H,6-7,16-17H2,1-5H3,(H,34,35,36)
PubChem CID19689505
ChEMBLCHEMBL168904
IUPHARN/A
BindingDB50107559
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
24013Endothelin-1 receptorQ29010EDNRASus scrofa (Pig)427

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