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Ligand

NameCHEMBL130606
Molecular formulaC34H34O11
IUPAC name(6R,8S,11R,12R,13S,16S,17R)-6-[(4-benzoylphenyl)methoxy]-8-tert-butyl-12,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
Molecular weight618.635
Hydrogen bond acceptor11
Hydrogen bond donor2
XlogP3.0
SynonymsBDBM50118201
6-(4-benzoylbenzyloxy)-8-(tert-butyl)-12,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
Inchi KeyKNRBUMMRKAYYBS-VWIVEZEFSA-N
Inchi IDInChI=1S/C34H34O11/c1-16-26(37)43-24-23(36)32-21-14-20(30(2,3)4)31(32)25(27(38)44-29(31)45-34(32,28(39)42-21)33(16,24)40)41-15-17-10-12-19(13-11-17)22(35)18-8-6-5-7-9-18/h5-13,16,20-21,23-25,29,36,40H,14-15H2,1-4H3/t16-,20+,21?,23+,24+,25+,29?,31?,32+,33-,34?/m1/s1
PubChem CID44353136
ChEMBLCHEMBL130606
IUPHARN/A
BindingDB50118201
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
173595Platelet-activating factor receptorQ62035PtafrMus musculus (Mouse)341

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