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Name | CHEMBL1199698 |
---|---|
Molecular formula | C10H16N2O11P2S |
IUPAC name | [(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-methylsulfanyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate |
Molecular weight | 434.249 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 5 |
XlogP | -3.0 |
Synonyms | BDBM50194164 (2R,3R,4S,5R)-1-(3,4-dihydroxy-5-(diphosphoryloxymethyl)-tetrahydrofuran-2-yl)-4-(methylthio)pyrimidin-2(1H)-one ammonium salt |
Inchi Key | CHRZEXOIDHTZGQ-ZOQUXTDFSA-N |
Inchi ID | InChI=1S/C10H16N2O11P2S/c1-26-6-2-3-12(10(15)11-6)9-8(14)7(13)5(22-9)4-21-25(19,20)23-24(16,17)18/h2-3,5,7-9,13-14H,4H2,1H3,(H,19,20)(H2,16,17,18)/t5-,7-,8-,9-/m1/s1 |
PubChem CID | 16082737 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50194164 |
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 |
---|---|---|---|---|---|
42246 | P2Y purinoceptor 6 | Q15077 | P2RY6 | Homo sapiens (Human) | 328 |
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