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Name | CHEMBL25373 |
---|---|
Molecular formula | C11H14N4O4 |
IUPAC name | 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl acetate |
Molecular weight | 266.257 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | -0.6 |
Synonyms | 2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl acetate 7-(beta-acetoxyethyl)theophylline DTXSID70659185 ACMC-20m0yg 96474-41-8 [ Show all ] |
Inchi Key | CQKZJBMFMGGBHJ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C11H14N4O4/c1-7(16)19-5-4-15-6-12-9-8(15)10(17)14(3)11(18)13(9)2/h6H,4-5H2,1-3H3 |
PubChem CID | 44459944 |
ChEMBL | CHEMBL25373 |
IUPHAR | N/A |
BindingDB | 50025567 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
48179 | Adenosine receptor A1 | P25099 | Adora1 | Rattus norvegicus (Rat) | 326 |
48178 | Adenosine receptor A2a | P46616 | ADORA2A | Cavia porcellus (Guinea pig) | 409 |
48180 | Adenosine receptor A2b | P29275 | ADORA2B | Homo sapiens (Human) | 332 |
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