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Ligand

NameCHEMBL114929
Molecular formulaC13H17NO2
IUPAC nameN-[(4-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methyl]propanamide
Molecular weight219.284
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP1.0
SynonymsBDBM50072658
N-(4-Methoxy-bicyclo[4.2.0]octa-1,3,5-trien-7-ylmethyl)-propionamide
Inchi KeyOQLJSJNIEJLHLS-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H17NO2/c1-3-13(15)14-8-10-6-9-4-5-11(16-2)7-12(9)10/h4-5,7,10H,3,6,8H2,1-2H3,(H,14,15)
PubChem CID44340856
ChEMBLCHEMBL114929
IUPHARN/A
BindingDB50072658
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
247924Melatonin receptor type 1BP51050Gallus gallus (Chicken)289

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