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Ligand

NameCHEMBL111880
Molecular formulaC16H23NO2
IUPAC nameN-[(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methyl]propanamide
Molecular weight261.365
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM50072661
N-(3-Methoxy-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-ylmethyl)-propionamide
Inchi KeySDNRTJRJDCFHCE-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H23NO2/c1-3-16(18)17-11-13-7-5-4-6-12-8-9-14(19-2)10-15(12)13/h8-10,13H,3-7,11H2,1-2H3,(H,17,18)
PubChem CID44341395
ChEMBLCHEMBL111880
IUPHARN/A
BindingDB50072661
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
311648Melatonin receptor type 1BP51050Gallus gallus (Chicken)289

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