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Name | CHEMBL339997 |
---|---|
Molecular formula | C27H25F4N3O10 |
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 weight | 627.502 |
Hydrogen bond acceptor | 16 |
Hydrogen bond donor | 2 |
XlogP | 3.0 |
Synonyms | BDBM50118202 6-(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 |
Inchi Key | JMDFCGAPZIZOFO-HBKFHRJQSA-N |
Inchi ID | InChI=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 CID | 44353145 |
ChEMBL | CHEMBL339997 |
IUPHAR | N/A |
BindingDB | 50118202 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
154292 | Platelet-activating factor receptor | Q62035 | Ptafr | Mus musculus (Mouse) | 341 |
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