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Ligand

NameMLS001177120
Molecular formulaC22H27N3O6S
IUPAC name4-[3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-hydroxypropoxy]benzonitrile
Molecular weight461.533
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP1.6
Synonyms4-{3-[4-(2,5-dimethoxybenzenesulfonyl)piperazin-1-yl]-2-hydroxypropoxy}benzonitrile
MCULE-9763769375
AKOS001285937
SMR000595686
CHEMBL1735811
[ Show all ]
Inchi KeyADWBDKJVZCLRJL-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H27N3O6S/c1-29-20-7-8-21(30-2)22(13-20)32(27,28)25-11-9-24(10-12-25)15-18(26)16-31-19-5-3-17(14-23)4-6-19/h3-8,13,18,26H,9-12,15-16H2,1-2H3
PubChem CID16319788
ChEMBLCHEMBL1735811
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
463267Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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