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Name | CHEMBL3634185 |
---|---|
Molecular formula | C11H17N5O9P2S2 |
IUPAC name | [(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydroxyphosphinothioyl hydrogen phosphate |
Molecular weight | 489.351 |
Hydrogen bond acceptor | 15 |
Hydrogen bond donor | 6 |
XlogP | -2.0 |
Synonyms | BDBM50131061 |
Inchi Key | RCQOWDJMQNAQFL-KQYNXXCUSA-N |
Inchi ID | InChI=1S/C11H17N5O9P2S2/c1-29-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(24-10)2-23-26(19,20)25-27(21,22)28/h3-4,6-7,10,17-18H,2H2,1H3,(H,19,20)(H2,12,14,15)(H2,21,22,28)/t4-,6-,7-,10-/m1/s1 |
PubChem CID | 122195894 |
ChEMBL | CHEMBL3634185 |
IUPHAR | N/A |
BindingDB | 50131061 |
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. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
499147 | P2Y purinoceptor 1 | P47900 | P2RY1 | Homo sapiens (Human) | 373 |
499146 | P2Y purinoceptor 11 | Q96G91 | P2RY11 | Homo sapiens (Human) | 374 |
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