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Name | CHEMBL295051 |
---|---|
Molecular formula | C12H20N6O8P2 |
IUPAC name | [4-[2-amino-6-(methylamino)purin-9-yl]-2-phosphonooxycyclopentyl]methyl dihydrogen phosphate |
Molecular weight | 438.274 |
Hydrogen bond acceptor | 13 |
Hydrogen bond donor | 6 |
XlogP | -2.8 |
Synonyms | Phosphoric acid mono-[4-(2-amino-6-methylamino-purin-9-yl)-2-phosphonooxymethyl-cyclopentyl] ester BDBM50076463 |
Inchi Key | IHQMVABLPLRMMJ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C12H20N6O8P2/c1-14-10-9-11(17-12(13)16-10)18(5-15-9)7-2-6(4-25-27(19,20)21)8(3-7)26-28(22,23)24/h5-8H,2-4H2,1H3,(H2,19,20,21)(H2,22,23,24)(H3,13,14,16,17) |
PubChem CID | 44288783 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50076463 |
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 |
---|---|---|---|---|---|
561444 | P2Y purinoceptor 1 | P49652 | P2RY1 | Meleagris gallopavo (Wild turkey) | 362 |
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