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Ligand

NameCHEMBL111879
Molecular formulaC17H25NO2
IUPAC nameN-[(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methyl]butanamide
Molecular weight275.392
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.6
SynonymsBDBM50072656
N-(3-Methoxy-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-ylmethyl)-butyramide
Inchi KeyPOVFROAPSBEDQU-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H25NO2/c1-3-6-17(19)18-12-14-8-5-4-7-13-9-10-15(20-2)11-16(13)14/h9-11,14H,3-8,12H2,1-2H3,(H,18,19)
PubChem CID44341394
ChEMBLCHEMBL111879
IUPHARN/A
BindingDB50072656
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
265120Melatonin receptor type 1BP51050Gallus gallus (Chicken)289

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