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Name | CHEMBL214698 |
---|---|
Molecular formula | C9H13BrN2O12P2 |
IUPAC name | [(2R,3S,4R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate |
Molecular weight | 483.057 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 6 |
XlogP | -4.1 |
Synonyms | 5-Br-UDP BDBM50199173 SCHEMBL3026247 5-bromo-1-beta-D-ribofuranosyl(3H)pyrimidine-2,4-dione 5''-diphosphate ((2R,3S,4R,5R)-5-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate |
Inchi Key | LEODOYNQKMXKRC-UAKXSSHOSA-N |
Inchi ID | InChI=1S/C9H13BrN2O12P2/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(23-8)2-22-26(20,21)24-25(17,18)19/h1,4-6,8,13-14H,2H2,(H,20,21)(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1 |
PubChem CID | 23379800 |
ChEMBL | CHEMBL214698 |
IUPHAR | N/A |
BindingDB | 50199173 |
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 |
---|---|---|---|---|---|
185444 | P2Y purinoceptor 2 | P41231 | P2RY2 | Homo sapiens (Human) | 377 |
185443 | P2Y purinoceptor 4 | P51582 | P2RY4 | Homo sapiens (Human) | 365 |
185445 | P2Y purinoceptor 6 | Q63371 | P2ry6 | Rattus norvegicus (Rat) | 328 |
185446 | P2Y purinoceptor 6 | Q15077 | P2RY6 | Homo sapiens (Human) | 328 |
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