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Ligand

NameCHEMBL14453
Molecular formulaC32H36N2O4
IUPAC nameN-[2-[7-[4-[8-(2-acetamidoethyl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]ethyl]acetamide
Molecular weight512.65
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.9
SynonymsBDBM50125757
D06AUM
GTPL1355
N,N''-(2,2''-(7,7''-(butane-1,4-diylbis(oxy))bis(naphthalene-7,1-diyl))bis(ethane-2,1-diyl))diacetamide
N-[2-(7-{4-[8-(2-Acetylamino-ethyl)-naphthalen-2-yloxy]-butoxy}-naphthalen-1-yl)-ethyl]-acetamide
[ Show all ]
Inchi KeyAGGOYESCDGTCOY-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H36N2O4/c1-23(35)33-17-15-27-9-5-7-25-11-13-29(21-31(25)27)37-19-3-4-20-38-30-14-12-26-8-6-10-28(32(26)22-30)16-18-34-24(2)36/h5-14,21-22H,3-4,15-20H2,1-2H3,(H,33,35)(H,34,36)
PubChem CID9806449
ChEMBLCHEMBL14453
IUPHAR1355
BindingDB50125757
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4858Melatonin receptor type 1AP48039MTNR1AHomo sapiens (Human)350
4857Melatonin receptor type 1BP49286MTNR1BHomo sapiens (Human)362

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