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Name | CHEMBL446679 |
---|---|
Molecular formula | C12H18N4O2 |
IUPAC name | 1-butyl-3-propyl-7H-purine-2,6-dione |
Molecular weight | 250.302 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 2.2 |
Synonyms | 1H-Purine-2,6-dione, 1-butyl-3,9-dihydro-3-propyl- 1-n-butyl-3-n-propylxanthine SCHEMBL8311870 135462-05-4 XT-044 [ Show all ] |
Inchi Key | AXDZQZQUNHYUGL-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C12H18N4O2/c1-3-5-7-16-11(17)9-10(14-8-13-9)15(6-4-2)12(16)18/h8H,3-7H2,1-2H3,(H,13,14) |
PubChem CID | 10198863 |
ChEMBL | CHEMBL446679 |
IUPHAR | N/A |
BindingDB | 50001516 |
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 |
---|---|---|---|---|---|
16606 | Adenosine receptor A1 | P47745 | ADORA1 | Cavia porcellus (Guinea pig) | 326 |
16604 | Adenosine receptor A2a | P46616 | ADORA2A | Cavia porcellus (Guinea pig) | 409 |
16605 | Adenosine receptor A2a | P29274 | ADORA2A | Homo sapiens (Human) | 412 |
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