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Ligand

NameCHEMBL335974
Molecular formulaC34H32O12
IUPAC name[(6R,8S,11R,12R,13S,16S,17R)-8-tert-butyl-12,17-dihydroxy-16-methyl-5,15,18-trioxo-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecan-6-yl] 4-benzoylbenzoate
Molecular weight632.618
Hydrogen bond acceptor12
Hydrogen bond donor2
XlogP3.2
SynonymsBDBM50118204
6-(4-benzoylphenylcarbonyloxy)-8-(tert-butyl)-12,17-dihydroxy-16-methyl-5,15,18-trioxo-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane
Inchi KeyHFSFFWWJGUVFIG-NONKOTCCSA-N
Inchi IDInChI=1S/C34H32O12/c1-15-25(37)43-23-22(36)32-20-14-19(30(2,3)4)31(32)24(27(39)45-29(31)46-34(32,28(40)42-20)33(15,23)41)44-26(38)18-12-10-17(11-13-18)21(35)16-8-6-5-7-9-16/h5-13,15,19-20,22-24,29,36,41H,14H2,1-4H3/t15-,19+,20?,22+,23+,24+,29?,31?,32+,33-,34?/m1/s1
PubChem CID44353073
ChEMBLCHEMBL335974
IUPHARN/A
BindingDB50118204
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
113723Platelet-activating factor receptorQ62035PtafrMus musculus (Mouse)341

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