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Name | CHEMBL167061 |
---|---|
Molecular formula | C12H19N5O9P2S |
IUPAC name | [(2R,3R,5R)-5-[6-(methylamino)-2-methylsulfanylpurin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate |
Molecular weight | 471.318 |
Hydrogen bond acceptor | 14 |
Hydrogen bond donor | 5 |
XlogP | -1.4 |
Synonyms | Phosphoric acid mono-[5-(6-methylamino-2-methylsulfanyl-purin-9-yl)-2-phosphonooxy-tetrahydro-furan-3-yl] ester BDBM50085826 |
Inchi Key | LNUFPAGVJSFPHP-BWZBUEFSSA-N |
Inchi ID | InChI=1S/C12H19N5O9P2S/c1-13-10-9-11(16-12(15-10)29-2)17(5-14-9)8-3-6(26-28(21,22)23)7(25-8)4-24-27(18,19)20/h5-8H,3-4H2,1-2H3,(H,13,15,16)(H2,18,19,20)(H2,21,22,23)/t6-,7-,8-/m1/s1 |
PubChem CID | 44380833 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50085826 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
563341 | P2Y purinoceptor 1 | P49652 | P2RY1 | Meleagris gallopavo (Wild turkey) | 362 |
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