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Ligand

NameCHEMBL347488
Molecular formulaC20H24O11
IUPAC name(6R,9S,12R,16S,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
Molecular weight440.401
Hydrogen bond acceptor11
Hydrogen bond donor4
XlogP-1.4
SynonymsBDBM50123641
8-(tert-butyl)-6,9,12,17-tetrahydroxy-16-methyl-(6R,8R,9S,12R,16S,17R)-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
Inchi KeyAMOGMTLMADGEOQ-FWTNMOLWSA-N
Inchi IDInChI=1S/C20H24O11/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,21-23,27H,1-4H3/t5-,6+,7?,8+,9+,10?,11?,15?,17?,18?,19-,20?/m1/s1
PubChem CID44370501
ChEMBLN/A
IUPHARN/A
BindingDB50123641
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
9089Platelet-activating factor receptorP21556PTAFRCavia porcellus (Guinea pig)342

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