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Ligand

NameCHEMBL12183
Molecular formulaC33H56N3O5S+
IUPAC name[(2S,4S)-4-(hexadecylcarbamoyloxymethyl)thietan-2-yl]methyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate
Molecular weight606.887
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP9.2
SynonymsBDBM50284412
2-{[Acetyl-((2S,4S)-4-hexadecylcarbamoyloxymethyl-thietan-2-ylmethoxycarbonyl)-amino]-methyl}-1-ethyl-pyridinium; chloride
CHEMBL1178055
Inchi KeyAFNHHRFMFQNPDF-CONSDPRKSA-O
Inchi IDInChI=1S/C33H55N3O5S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-22-34-32(38)40-26-30-24-31(42-30)27-41-33(39)36(28(3)37)25-29-21-18-20-23-35(29)5-2/h18,20-21,23,30-31H,4-17,19,22,24-27H2,1-3H3/p+1/t30-,31-/m0/s1
PubChem CID44268105
ChEMBLN/A
IUPHARN/A
BindingDB50284412
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
519716Platelet-activating factor receptorP21556PTAFRCavia porcellus (Guinea pig)342

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