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Name | CHEMBL228111 |
---|---|
Molecular formula | C15H24N2O16P2S |
IUPAC name | [[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate |
Molecular weight | 582.363 |
Hydrogen bond acceptor | 17 |
Hydrogen bond donor | 9 |
XlogP | -6.0 |
Synonyms | diphosphoric acid 1-alpha-D-glucopyranosyl ester 2-((2''thio)uridin-5''''-yl) ester MRS-2690 ZINC38152252 BDBM50209669 |
Inchi Key | FWVUCDCDTDREPN-JZMIEXBBSA-N |
Inchi ID | InChI=1S/C15H24N2O16P2S/c18-3-5-8(20)10(22)12(24)14(31-5)32-35(27,28)33-34(25,26)29-4-6-9(21)11(23)13(30-6)17-2-1-7(19)16-15(17)36/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,25,26)(H,27,28)(H,16,19,36)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1 |
PubChem CID | 44422870 |
ChEMBL | CHEMBL228111 |
IUPHAR | N/A |
BindingDB | 50209669 |
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 |
---|---|---|---|---|---|
89252 | P2Y purinoceptor 14 | Q15391 | P2RY14 | Homo sapiens (Human) | 338 |
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