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Name | CHEMBL1765120 |
---|---|
Molecular formula | C15H19BrN3O14P3 |
IUPAC name | [[[(2R,3S,4R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-N-phenylphosphonamidic acid |
Molecular weight | 638.149 |
Hydrogen bond acceptor | 15 |
Hydrogen bond donor | 7 |
XlogP | -2.3 |
Synonyms | BDBM50341902 5-Bromo-1-beta-D-ribofuranosyl(3H)pyrimidine-2,4-dione 5''-(gamma-phenylamino)triphosphate |
Inchi Key | BECOTGWWMSOOEA-HKUMRIAESA-N |
Inchi ID | InChI=1S/C15H19BrN3O14P3/c16-9-6-19(15(23)17-13(9)22)14-12(21)11(20)10(31-14)7-30-35(26,27)33-36(28,29)32-34(24,25)18-8-4-2-1-3-5-8/h1-6,10-12,14,20-21H,7H2,(H,26,27)(H,28,29)(H,17,22,23)(H2,18,24,25)/t10-,11-,12-,14-/m1/s1 |
PubChem CID | 52952183 |
ChEMBL | CHEMBL1765120 |
IUPHAR | N/A |
BindingDB | 50341902 |
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 |
---|---|---|---|---|---|
21439 | P2Y purinoceptor 2 | P41231 | P2RY2 | Homo sapiens (Human) | 377 |
21440 | P2Y purinoceptor 4 | P51582 | P2RY4 | Homo sapiens (Human) | 365 |
21438 | P2Y purinoceptor 6 | Q15077 | P2RY6 | Homo sapiens (Human) | 328 |
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