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Name | 1-Methyl-3-butylxanthine |
---|---|
Molecular formula | C10H14N4O2 |
IUPAC name | 3-butyl-1-methyl-7H-purine-2,6-dione |
Molecular weight | 222.248 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 1.3 |
Synonyms | 1H-Purine-2,6-dione,3-butyl-3,9-dihydro-1-methyl- AC1Q6LGO SCHEMBL1331789 3-Butyl-1-methyl-3,7-dihydro-purine-2,6-dione CHEMBL130969 [ Show all ] |
Inchi Key | KYWKJKVQLGANBH-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C10H14N4O2/c1-3-4-5-14-8-7(11-6-12-8)9(15)13(2)10(14)16/h6H,3-5H2,1-2H3,(H,11,12) |
PubChem CID | 169316 |
ChEMBL | CHEMBL130969 |
IUPHAR | N/A |
BindingDB | 50001511 |
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 |
---|---|---|---|---|---|
181512 | Adenosine receptor A1 | P47745 | ADORA1 | Cavia porcellus (Guinea pig) | 326 |
181513 | Adenosine receptor A2a | P46616 | ADORA2A | Cavia porcellus (Guinea pig) | 409 |
181514 | Adenosine receptor A2a | P29274 | ADORA2A | Homo sapiens (Human) | 412 |
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