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Ligand

NameCHEMBL1774217
Molecular formulaC52H62N7O6+
IUPAC name(2R)-5-[[amino-[[2-[2-[2-[4-[(1E,3E)-4-[4-(dimethylamino)phenyl]buta-1,3-dienyl]-2,6-dimethylpyridin-1-ium-1-yl]ethoxy]ethoxy]acetyl]amino]methylidene]amino]-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]pentanamide
Molecular weight881.111
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP7.5
SynonymsBDBM50343741
1-((R)-9-Amino-4-(2,2-diphenylacetamido)-1-(4-hydroxyphenyl)-3,11-dioxo-13,16-dioxa-2,8,10-triazaoctadec-9-en-18-yl)-4-((1E,3E)-4-(4-(dimethylamino)phenyl)buta-1,3-dienyl)-2,6-dimethylpyridinium-hydrotrifluoroacetate
CHEMBL1789346
Inchi KeyBCDQMOPJFSESOA-QZNUWAOFSA-O
Inchi IDInChI=1S/C52H61N7O6/c1-38-34-42(15-12-11-14-40-21-25-45(26-22-40)58(3)4)35-39(2)59(38)30-31-64-32-33-65-37-48(61)57-52(53)54-29-13-20-47(50(62)55-36-41-23-27-46(60)28-24-41)56-51(63)49(43-16-7-5-8-17-43)44-18-9-6-10-19-44/h5-12,14-19,21-28,34-35,47,49H,13,20,29-33,36-37H2,1-4H3,(H5-,53,54,55,56,57,60,61,62,63)/p+1/t47-/m1/s1
PubChem CID54584290
ChEMBLN/A
IUPHARN/A
BindingDB50343741
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
20082Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384

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