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Ligand

NameCHEMBL2113721
Molecular formulaC33H41BrN2O8S
IUPAC name3-[2-[2-(2-bromophenyl)sulfanylethoxy]-3-methoxy-5-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenyl]-1-butyl-1-hydroxyurea
Molecular weight705.661
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP6.3
SynonymsBDBM50408422
N-Butyl-N-hydroxy-N'-[2-[2-(2-bromophenylthio)ethoxy]-3-methoxy-5-[[5beta-(3,4,5-trimethoxyphenyl)tetrahydrofuran]-2alpha-yl]phenyl]urea
Inchi KeyADGAICNUKKFKGZ-UIOOFZCWSA-N
Inchi IDInChI=1S/C33H41BrN2O8S/c1-6-7-14-36(38)33(37)35-24-17-21(18-27(39-2)31(24)43-15-16-45-30-11-9-8-10-23(30)34)25-12-13-26(44-25)22-19-28(40-3)32(42-5)29(20-22)41-4/h8-11,17-20,25-26,38H,6-7,12-16H2,1-5H3,(H,35,37)/t25-,26-/m0/s1
PubChem CID10628536
ChEMBLCHEMBL2113721
IUPHARN/A
BindingDB50408422
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
2248Platelet-activating factor receptorP25105PTAFRHomo sapiens (Human)342

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