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Ligand

NameCHEMBL339997
Molecular formulaC27H25F4N3O10
IUPAC name(6R,8S,11R,12R,13S,16S,17R)-6-[(4-azido-2,3,5,6-tetrafluorophenyl)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 weight627.502
Hydrogen bond acceptor16
Hydrogen bond donor2
XlogP3.0
Synonyms6-(4-azido-2,3,5,6-tetrafluorobenzyloxy)-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
BDBM50118202
Inchi KeyJMDFCGAPZIZOFO-HBKFHRJQSA-N
Inchi IDInChI=1S/C27H25F4N3O10/c1-7-19(36)42-17-16(35)25-10-5-9(23(2,3)4)24(25)18(20(37)43-22(24)44-27(25,21(38)41-10)26(7,17)39)40-6-8-11(28)13(30)15(33-34-32)14(31)12(8)29/h7,9-10,16-18,22,35,39H,5-6H2,1-4H3/t7-,9+,10?,16+,17+,18+,22?,24?,25+,26-,27?/m1/s1
PubChem CID44353145
ChEMBLCHEMBL339997
IUPHARN/A
BindingDB50118202
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
154292Platelet-activating factor receptorQ62035PtafrMus musculus (Mouse)341

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