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Name | 7-propyltheophylline |
---|---|
Molecular formula | C10H14N4O2 |
IUPAC name | 1,3-dimethyl-7-propylpurine-2,6-dione |
Molecular weight | 222.248 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 0 |
XlogP | 0.4 |
Synonyms | 7-Propyltheophyline CHEMBL26455 SCHEMBL8443037 1,3-dimethyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione AC1Q2XWG [ Show all ] |
Inchi Key | HGFWMGARSDHJFP-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C10H14N4O2/c1-4-5-14-6-11-8-7(14)9(15)13(3)10(16)12(8)2/h6H,4-5H2,1-3H3 |
PubChem CID | 847168 |
ChEMBL | CHEMBL26455 |
IUPHAR | N/A |
BindingDB | 50025583 |
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 |
---|---|---|---|---|---|
114048 | Adenosine receptor A1 | P25099 | Adora1 | Rattus norvegicus (Rat) | 326 |
114049 | Adenosine receptor A1 | P30542 | ADORA1 | Homo sapiens (Human) | 326 |
114050 | Adenosine receptor A2a | P46616 | ADORA2A | Cavia porcellus (Guinea pig) | 409 |
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