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Ligand

NameMLS000760186
Molecular formulaC18H19ClN2O3S
IUPAC name[4-(2-chlorophenyl)piperazin-1-yl]-(3,4-dihydroxy-5-methoxyphenyl)methanethione
Molecular weight378.871
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.5
Synonyms(4Z)-4-[[4-(2-chlorophenyl)piperazin-1-yl]-sulfanyl-methylidene]-2-methoxy-6-oxidanyl-cyclohexa-2,5-dien-1-one
AC1O1JMF
MCULE-9607151367
4-[[4-(2-chlorophenyl)piperazin-1-yl]-sulfanylmethylidene]-2-hydroxy-6-methoxycyclohexa-2,5-dien-1-one
BDBM61839
[ Show all ]
Inchi KeyBUROKOGOWXVRCQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H19ClN2O3S/c1-24-16-11-12(10-15(22)17(16)23)18(25)21-8-6-20(7-9-21)14-5-3-2-4-13(14)19/h2-5,10-11,22-23H,6-9H2,1H3
PubChem CID2455058
ChEMBLCHEMBL1386851
IUPHARN/A
BindingDB61839
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
558292Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
558291Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
558290Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381
558293Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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