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Ligand

NameCHEMBL335310
Molecular formulaC29H29F3N2O11
IUPAC name(6R,8S,9R,11R,12R,13S,16S,17R)-8-tert-butyl-9,12,17-trihydroxy-16-methyl-6-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methoxy]-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
Molecular weight638.549
Hydrogen bond acceptor16
Hydrogen bond donor3
XlogP1.7
SynonymsN/A
Inchi KeyJJABSUARQICJFK-JEUIAGQCSA-N
Inchi IDInChI=1S/C29H29F3N2O11/c1-10-19(37)42-17-15(36)25-16-13(35)14(23(2,3)4)24(25)18(20(38)44-22(24)45-27(25,21(39)43-16)26(10,17)40)41-9-11-5-7-12(8-6-11)28(33-34-28)29(30,31)32/h5-8,10,13-18,22,35-36,40H,9H2,1-4H3/t10-,13-,14+,15+,16?,17+,18+,22?,24?,25-,26-,27?/m1/s1
PubChem CID44353072
ChEMBLCHEMBL335310
IUPHARN/A
BindingDB50118203
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
152134Platelet-activating factor receptorQ62035PtafrMus musculus (Mouse)341

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