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Ligand

NameMLS002694516
Molecular formulaC18H17ClN2O2S
IUPAC name1,3-benzodioxol-5-yl-[4-(3-chlorophenyl)piperazin-1-yl]methanethione
Molecular weight360.856
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.0
SynonymsHMS3085N06
ZINC1730964
AC1L5UV3
MolPort-002-299-049
CHEMBL1733868
[ Show all ]
Inchi KeyAGCCYFQBWLFQII-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H17ClN2O2S/c19-14-2-1-3-15(11-14)20-6-8-21(9-7-20)18(24)13-4-5-16-17(10-13)23-12-22-16/h1-5,10-11H,6-9,12H2
PubChem CID256556
ChEMBLCHEMBL1733868
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
4742Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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