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Ligand

NameCHEMBL112164
Molecular formulaC14H19NO2
IUPAC nameN-[(4-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methyl]butanamide
Molecular weight233.311
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP1.4
SynonymsBDBM50072655
N-(4-Methoxy-bicyclo[4.2.0]octa-1,3,5-trien-7-ylmethyl)-butyramide
Inchi KeyQWJALEIUJNONIK-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H19NO2/c1-3-4-14(16)15-9-11-7-10-5-6-12(17-2)8-13(10)11/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,15,16)
PubChem CID44340855
ChEMBLCHEMBL112164
IUPHARN/A
BindingDB50072655
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
288510Melatonin receptor type 1BP51050Gallus gallus (Chicken)289

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