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Ligand

NameBRN 1379764
Molecular formulaC13H15NO2S
IUPAC nameN-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]acetamide
Molecular weight249.328
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.5
SynonymsAcetamide,N-[2-(5-methoxybenzo[b]thien-3-yl)ethyl]-
LS-9818
N-[2-(5-Methoxy-benzo[b]thiophen-3-yl)-ethyl]-acetamide
AC1L1R8C
CTK4G1472
[ Show all ]
Inchi KeyAXMIJKLYRBIWJK-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H15NO2S/c1-9(15)14-6-5-10-8-17-13-4-3-11(16-2)7-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
PubChem CID34247
ChEMBLCHEMBL109235
IUPHARN/A
BindingDB50037219
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
16852Melatonin receptor type 1AP48039MTNR1AHomo sapiens (Human)350

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