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Name | CHEMBL323457 |
---|---|
Molecular formula | C11H16ClN5O8P2 |
IUPAC name | [4-[2-chloro-6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)but-2-enyl] dihydrogen phosphate |
Molecular weight | 443.674 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 5 |
XlogP | -1.8 |
Synonyms | BDBM50104018 Phosphoric acid mono-[4-(2-chloro-6-methylamino-purin-9-yl)-2-phosphonooxymethyl-but-2-enyl] ester 2-Chloro-9-[3-(phosphonooxymethyl)-4-(phosphonooxy)-2-butenyl]-N-methyl-9H-purine-6-amine |
Inchi Key | HSEYIZMENQZQTL-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C11H16ClN5O8P2/c1-13-9-8-10(16-11(12)15-9)17(6-14-8)3-2-7(4-24-26(18,19)20)5-25-27(21,22)23/h2,6H,3-5H2,1H3,(H,13,15,16)(H2,18,19,20)(H2,21,22,23) |
PubChem CID | 10895531 |
ChEMBL | CHEMBL323457 |
IUPHAR | N/A |
BindingDB | 50104018 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
122706 | P2Y purinoceptor 1 | P49652 | P2RY1 | Meleagris gallopavo (Wild turkey) | 362 |
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