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Name | CHEMBL77323 |
---|---|
Molecular formula | C20H24N4O3 |
IUPAC name | 8-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione |
Molecular weight | 368.437 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 4.9 |
Synonyms | 8-[2-(4-Methoxy-phenyl)-vinyl]-1,3-dipropyl-3,7-dihydro-purine-2,6-dione BDBM50006700 SCHEMBL8374085 1,3-Dipropyl-8-[(E)-2-(4-methoxyphenyl)ethenyl]xanthine |
Inchi Key | BBEXVXMDRRFCIG-DHZHZOJOSA-N |
Inchi ID | InChI=1S/C20H24N4O3/c1-4-12-23-18-17(19(25)24(13-5-2)20(23)26)21-16(22-18)11-8-14-6-9-15(27-3)10-7-14/h6-11H,4-5,12-13H2,1-3H3,(H,21,22)/b11-8+ |
PubChem CID | 15170858 |
ChEMBL | CHEMBL77323 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
19439 | Adenosine receptor A1 | P47745 | ADORA1 | Cavia porcellus (Guinea pig) | 326 |
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