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Name | CHEMBL3634182 |
---|---|
Molecular formula | C11H17N5O9P2S2 |
IUPAC name | [[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] dihydrogen phosphate |
Molecular weight | 489.351 |
Hydrogen bond acceptor | 15 |
Hydrogen bond donor | 6 |
XlogP | -2.0 |
Synonyms | BDBM50131064 J3.552.683H 2-(Methylthio)-5'-O-[(phosphonooxy)hydroxythiophophinyl]adenosine |
Inchi Key | SNYCUVYLIGMAED-QGPPJTFUSA-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)2-23-27(22,28)25-26(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,28)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-,27?/m1/s1 |
PubChem CID | 122195891 |
ChEMBL | CHEMBL3634182 |
IUPHAR | N/A |
BindingDB | 50131064 |
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 |
---|---|---|---|---|---|
502311 | P2Y purinoceptor 1 | P47900 | P2RY1 | Homo sapiens (Human) | 373 |
502310 | P2Y purinoceptor 11 | Q96G91 | P2RY11 | Homo sapiens (Human) | 374 |
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