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Ligand

NameMLS-0271926.0001
Molecular formulaC19H22N4O4S2
IUPAC name4-(1,3-benzodioxol-5-ylmethyl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide
Molecular weight434.529
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP1.4
Synonyms4-(1,3-benzodioxol-5-ylmethyl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide
AC1LO37L
MLS000621427
CHEMBL1447397
BDBM46210
[ Show all ]
Inchi KeyAEKDHPBYUMXAPF-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H22N4O4S2/c20-29(24,25)16-4-2-15(3-5-16)21-19(28)23-9-7-22(8-10-23)12-14-1-6-17-18(11-14)27-13-26-17/h1-6,11H,7-10,12-13H2,(H,21,28)(H2,20,24,25)
PubChem CID1213466
ChEMBLCHEMBL1447397
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
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GLASS IDNameUniProtGeneSpeciesLength
463322Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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