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Name | CHEMBL3261365 |
---|---|
Molecular formula | C18H25IN3O15P3 |
IUPAC name | [[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-[3-(3-iodophenyl)propoxyamino]-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate |
Molecular weight | 743.23 |
Hydrogen bond acceptor | 15 |
Hydrogen bond donor | 7 |
XlogP | -3.1 |
Synonyms | BDBM50012974 |
Inchi Key | BSXYCTKWYPJKSC-MWQQHZPXSA-N |
Inchi ID | InChI=1S/C18H25IN3O15P3/c19-12-5-1-3-11(9-12)4-2-8-33-21-14-6-7-22(18(25)20-14)17-16(24)15(23)13(35-17)10-34-39(29,30)37-40(31,32)36-38(26,27)28/h1,3,5-7,9,13,15-17,23-24H,2,4,8,10H2,(H,29,30)(H,31,32)(H,20,21,25)(H2,26,27,28)/t13-,15-,16-,17-/m1/s1 |
PubChem CID | 90656216 |
ChEMBL | CHEMBL3261365 |
IUPHAR | N/A |
BindingDB | 50012974 |
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 |
---|---|---|---|---|---|
32087 | P2Y purinoceptor 2 | P41231 | P2RY2 | Homo sapiens (Human) | 377 |
32086 | P2Y purinoceptor 4 | P51582 | P2RY4 | Homo sapiens (Human) | 365 |
32088 | P2Y purinoceptor 6 | Q15077 | P2RY6 | Homo sapiens (Human) | 328 |
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