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Name | 1-Ethyl-3-methylxanthine |
---|---|
Molecular formula | C8H10N4O2 |
IUPAC name | 1-ethyl-3-methyl-7H-purine-2,6-dione |
Molecular weight | 194.194 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 0.3 |
Synonyms | CHEMBL24107 SCHEMBL7016029 BDBM50001514 1-ethyl-3,7-dihydro-3-methyl-1H-purine-2,6-dione D04WBU [ Show all ] |
Inchi Key | KVSRUALMCYFLEP-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C8H10N4O2/c1-3-12-7(13)5-6(10-4-9-5)11(2)8(12)14/h4H,3H2,1-2H3,(H,9,10) |
PubChem CID | 12905388 |
ChEMBL | CHEMBL24107 |
IUPHAR | N/A |
BindingDB | 50001514 |
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 |
---|---|---|---|---|---|
179442 | Adenosine receptor A1 | P47745 | ADORA1 | Cavia porcellus (Guinea pig) | 326 |
179443 | Adenosine receptor A1 | P25099 | Adora1 | Rattus norvegicus (Rat) | 326 |
179440 | Adenosine receptor A2a | P29274 | ADORA2A | Homo sapiens (Human) | 412 |
179441 | Adenosine receptor A2a | P46616 | ADORA2A | Cavia porcellus (Guinea pig) | 409 |
179444 | Adenosine receptor A2a | P30543 | Adora2a | Rattus norvegicus (Rat) | 410 |
179445 | Adenosine receptor A2b | P29275 | ADORA2B | Homo sapiens (Human) | 332 |
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