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Ligand

NameCHEMBL12882
Molecular formulaC35H60N3O6+
IUPAC name[(2S,4R)-4-(octadecylcarbamoyloxymethyl)oxetan-2-yl]methyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate
Molecular weight618.88
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP9.5
SynonymsBDBM50284414
2-{[Acetyl-((2S,4R)-4-octadecylcarbamoyloxymethyl-oxetan-2-ylmethoxycarbonyl)-amino]-methyl}-1-ethyl-pyridinium; chloride
CHEMBL1178068
Inchi KeyBSYWZJPBCTYXFK-SAIUNTKASA-O
Inchi IDInChI=1S/C35H59N3O6/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-36-34(40)42-28-32-26-33(44-32)29-43-35(41)38(30(3)39)27-31-23-20-22-25-37(31)5-2/h20,22-23,25,32-33H,4-19,21,24,26-29H2,1-3H3/p+1/t32-,33+/m1/s1
PubChem CID44268122
ChEMBLN/A
IUPHARN/A
BindingDB50284414
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
519851Platelet-activating factor receptorP21556PTAFRCavia porcellus (Guinea pig)342

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