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Name | CHEMBL424433 |
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Molecular formula | C15H20N4O4 |
IUPAC name | tert-butyl (E)-3-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)prop-2-enoate |
Molecular weight | 320.349 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | 0.9 |
Synonyms | 3-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-acrylic acid tert-butyl ester J3.623.955G 8-[(E)-3-tert-Butoxy-3-oxo-1-propenyl]-1,3,7-trimethylxanthine SCHEMBL7402268 AJUDZDYYJWKDLW-BQYQJAHWSA-N [ Show all ] |
Inchi Key | AJUDZDYYJWKDLW-BQYQJAHWSA-N |
Inchi ID | InChI=1S/C15H20N4O4/c1-15(2,3)23-10(20)8-7-9-16-12-11(17(9)4)13(21)19(6)14(22)18(12)5/h7-8H,1-6H3/b8-7+ |
PubChem CID | 44322635 |
ChEMBL | CHEMBL424433 |
IUPHAR | N/A |
BindingDB | 50045343 |
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 |
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7228 | Adenosine receptor A1 | P25099 | Adora1 | Rattus norvegicus (Rat) | 326 |
7229 | Adenosine receptor A2a | P30543 | Adora2a | Rattus norvegicus (Rat) | 410 |
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