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Name | CHEMBL240203 |
---|---|
Molecular formula | C15H20NO14P3S |
IUPAC name | [[(2R,3S,4R,5R)-3,4-dihydroxy-5-(7-methylsulfanyl-1-oxoisoquinolin-2-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate |
Molecular weight | 563.299 |
Hydrogen bond acceptor | 15 |
Hydrogen bond donor | 6 |
XlogP | -3.3 |
Synonyms | BDBM50195837 SCHEMBL6796405 ({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-[7-(methylsulfanyl)-1-oxo-1,2-dihydroisoquinolin-2-yl]oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid |
Inchi Key | CBVKDLQCDCGAPA-RGCMKSIDSA-N |
Inchi ID | InChI=1S/C15H20NO14P3S/c1-34-9-3-2-8-4-5-16(14(19)10(8)6-9)15-13(18)12(17)11(28-15)7-27-32(23,24)30-33(25,26)29-31(20,21)22/h2-6,11-13,15,17-18H,7H2,1H3,(H,23,24)(H,25,26)(H2,20,21,22)/t11-,12-,13-,15-/m1/s1 |
PubChem CID | 44439761 |
ChEMBL | CHEMBL240203 |
IUPHAR | N/A |
BindingDB | 50195837 |
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 |
---|---|---|---|---|---|
38248 | P2Y purinoceptor 2 | P41231 | P2RY2 | Homo sapiens (Human) | 377 |
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