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Name | CHEMBL385488 |
---|---|
Molecular formula | C17H21N2O16P3 |
IUPAC name | [[(2R,3S,4R,5R)-5-(2,4-dioxo-3-phenacylpyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate |
Molecular weight | 602.274 |
Hydrogen bond acceptor | 16 |
Hydrogen bond donor | 6 |
XlogP | -4.5 |
Synonyms | BDBM50199177 3-phenacyl-1-beta-D-ribofuranosylpyrimidine-2,4-dione 5''-triphosphate |
Inchi Key | BTNPGBJHKRUBLX-DTZQCDIJSA-N |
Inchi ID | InChI=1S/C17H21N2O16P3/c20-11(10-4-2-1-3-5-10)8-19-13(21)6-7-18(17(19)24)16-15(23)14(22)12(33-16)9-32-37(28,29)35-38(30,31)34-36(25,26)27/h1-7,12,14-16,22-23H,8-9H2,(H,28,29)(H,30,31)(H2,25,26,27)/t12-,14-,15-,16-/m1/s1 |
PubChem CID | 11994007 |
ChEMBL | CHEMBL385488 |
IUPHAR | N/A |
BindingDB | 50199177 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. 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 |
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32485 | P2Y purinoceptor 2 | P41231 | P2RY2 | Homo sapiens (Human) | 377 |
32487 | P2Y purinoceptor 4 | P51582 | P2RY4 | Homo sapiens (Human) | 365 |
32486 | P2Y purinoceptor 6 | Q15077 | P2RY6 | Homo sapiens (Human) | 328 |
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