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Ligand

NameCHEMBL337840
Molecular formulaC34H34O12
IUPAC name(6R,8S,9R,11R,12R,13S,16S,17R)-6-[(4-benzoylphenyl)methoxy]-8-tert-butyl-9,12,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
Molecular weight634.634
Hydrogen bond acceptor12
Hydrogen bond donor3
XlogP2.0
Synonyms6-(4-benzoylbenzyloxy)-8-(tert-butyl)-9,12,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
BDBM50118196
Inchi KeyIUPPHAUUEPOJND-RZWLPKJOSA-N
Inchi IDInChI=1S/C34H34O12/c1-15-26(38)43-24-22(37)32-23-20(36)21(30(2,3)4)31(32)25(27(39)45-29(31)46-34(32,28(40)44-23)33(15,24)41)42-14-16-10-12-18(13-11-16)19(35)17-8-6-5-7-9-17/h5-13,15,20-25,29,36-37,41H,14H2,1-4H3/t15-,20-,21+,22+,23?,24+,25+,29?,31?,32-,33-,34?/m1/s1
PubChem CID44353099
ChEMBLCHEMBL337840
IUPHARN/A
BindingDB50118196
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
142237Platelet-activating factor receptorQ62035PtafrMus musculus (Mouse)341

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