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Ligand

NameCHEMBL1813319
Molecular formulaC26H38N4O4
IUPAC nameN-[2-[3-[4-[3-[2-acetamidoethyl(methyl)amino]phenoxy]butoxy]-N-methylanilino]ethyl]acetamide
Molecular weight470.614
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.1
SynonymsBDBM50419033
Inchi KeyCMUDCZPLZLQTPX-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H38N4O4/c1-21(31)27-13-15-29(3)23-9-7-11-25(19-23)33-17-5-6-18-34-26-12-8-10-24(20-26)30(4)16-14-28-22(2)32/h7-12,19-20H,5-6,13-18H2,1-4H3,(H,27,31)(H,28,32)
PubChem CID56661512
ChEMBLCHEMBL1813319
IUPHARN/A
BindingDB50419033
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
45701Melatonin receptor type 1AP48039MTNR1AHomo sapiens (Human)350
45700Melatonin receptor type 1BP49286MTNR1BHomo sapiens (Human)362

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