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Ligand

NameSMR000046286
Molecular formulaC20H23N5O4S2
IUPAC name2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide
Molecular weight461.555
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP1.9
Synonyms2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide
861140-30-9
MCULE-1932111955
ZINC4295988
AKOS005513991
[ Show all ]
Inchi KeyACRQEVCUBADABH-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H23N5O4S2/c1-3-25-18(12-29-16-8-4-14(2)5-9-16)23-24-20(25)30-13-19(26)22-15-6-10-17(11-7-15)31(21,27)28/h4-11H,3,12-13H2,1-2H3,(H,22,26)(H2,21,27,28)
PubChem CID665270
ChEMBLCHEMBL1383442
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
463166Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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