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Ligand

NameCHEMBL1095195
Molecular formulaC34H38N2O4
IUPAC nameN-[2-[7-[4-[8-(2-acetamidoethyl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]ethyl]but-3-enamide
Molecular weight538.688
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP6.7
SynonymsBDBM50316697
N-[2-(7-{4-[8-(2-vinylacetylaminoethyl)naphthalen-2-yloxy]butoxy}naphthalen-1-yl)-ethyl]acetamide
Inchi KeyBWDFKJLWRRJJBS-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H38N2O4/c1-3-8-34(38)36-20-18-29-12-7-10-27-14-16-31(24-33(27)29)40-22-5-4-21-39-30-15-13-26-9-6-11-28(32(26)23-30)17-19-35-25(2)37/h3,6-7,9-16,23-24H,1,4-5,8,17-22H2,2H3,(H,35,37)(H,36,38)
PubChem CID46888520
ChEMBLCHEMBL1095195
IUPHARN/A
BindingDB50316697
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
34343Melatonin receptor type 1AP48039MTNR1AHomo sapiens (Human)350
34342Melatonin receptor type 1BP49286MTNR1BHomo sapiens (Human)362

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