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Name | CHEMBL1083262 |
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Molecular formula | C23H31N2O21P3 |
IUPAC name | [[(2R,3S,4R,5R)-5-(2,4-dioxo-3-phenacylpyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphoryl] hydrogen phosphate |
Molecular weight | 764.415 |
Hydrogen bond acceptor | 21 |
Hydrogen bond donor | 9 |
XlogP | -6.1 |
Synonyms | BDBM50319133 3-Phenacyluridine5''-Glucose-1''-triphosphate TriethylammoniumSalt CHEMBL1198838 |
Inchi Key | FYHRJYWTXNJXQF-QHYJAAMBSA-N |
Inchi ID | InChI=1S/C23H31N2O21P3/c26-9-13-16(29)18(31)20(33)22(43-13)44-48(37,38)46-49(39,40)45-47(35,36)41-10-14-17(30)19(32)21(42-14)24-7-6-15(28)25(23(24)34)8-12(27)11-4-2-1-3-5-11/h1-7,13-14,16-22,26,29-33H,8-10H2,(H,35,36)(H,37,38)(H,39,40)/t13-,14-,16-,17-,18+,19-,20-,21-,22-/m1/s1 |
PubChem CID | 46830785 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50319133 |
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 |
---|---|---|---|---|---|
90257 | P2Y purinoceptor 6 | Q15077 | P2RY6 | Homo sapiens (Human) | 328 |
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