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Ligand

NameCHEMBL2304166
Molecular formulaC28H32O11
IUPAC name(1R,3R,6R,7S,8S,10R,12R,13S,16S,17R)-8-tert-butyl-6,17-dihydroxy-16-methyl-12-(phenylmethoxymethoxy)-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
Molecular weight544.553
Hydrogen bond acceptor11
Hydrogen bond donor2
XlogP1.6
SynonymsBDBM50421410
Inchi KeyATAYLENYWYIQNW-DZQZXAQMSA-N
Inchi IDInChI=1S/C28H32O11/c1-13-20(30)37-19-18(35-12-34-11-14-8-6-5-7-9-14)26-16-10-15(24(2,3)4)25(26)17(29)21(31)38-23(25)39-28(26,22(32)36-16)27(13,19)33/h5-9,13,15-19,23,29,33H,10-12H2,1-4H3/t13-,15+,16-,17+,18+,19+,23+,25+,26?,27-,28-/m1/s1
PubChem CID71716651
ChEMBLCHEMBL2304166
IUPHARN/A
BindingDB50421410
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
13787Platelet-activating factor receptorP25105PTAFRHomo sapiens (Human)342

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