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Name | CHEMBL10873 |
---|---|
Molecular formula | C15H14N4O2 |
IUPAC name | 3-methyl-8-phenyl-1-prop-2-enyl-7H-purine-2,6-dione |
Molecular weight | 282.303 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 2.8 |
Synonyms | 1-Allyl-3-methyl-8-phenyl-3,7-dihydro-purine-2,6-dione BDBM50020960 SCHEMBL9765909 1-allyl-3-methyl-8-phenylxanthine |
Inchi Key | MJCQAXMJLOGLCR-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C15H14N4O2/c1-3-9-19-14(20)11-13(18(2)15(19)21)17-12(16-11)10-7-5-4-6-8-10/h3-8H,1,9H2,2H3,(H,16,17) |
PubChem CID | 10379032 |
ChEMBL | CHEMBL10873 |
IUPHAR | N/A |
BindingDB | 50020960 |
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 |
---|---|---|---|---|---|
206683 | Adenosine receptor A1 | P25099 | Adora1 | Rattus norvegicus (Rat) | 326 |
206684 | Adenosine receptor A1 | P28190 | ADORA1 | Bos taurus (Bovine) | 326 |
206687 | Adenosine receptor A2a | P30543 | Adora2a | Rattus norvegicus (Rat) | 410 |
206685 | Adenosine receptor A2b | P29276 | Adora2b | Rattus norvegicus (Rat) | 332 |
206686 | Adenosine receptor A2b | P29275 | ADORA2B | Homo sapiens (Human) | 332 |
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