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Name | 1,3-dibenzyl-3,7-dihydro-1h-purine-2,6-dione |
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Molecular formula | C19H16N4O2 |
IUPAC name | 1,3-dibenzyl-7H-purine-2,6-dione |
Molecular weight | 332.363 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 3.0 |
Synonyms | 31542-68-4 D0LM1Q AC1Q6LGR SCHEMBL3107001 1,3-Dibenzyl-1H-purine-2,6(3H,7H)-dione [ Show all ] |
Inchi Key | NHCLZKKZQJJXER-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C19H16N4O2/c24-18-16-17(21-13-20-16)22(11-14-7-3-1-4-8-14)19(25)23(18)12-15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,20,21) |
PubChem CID | 250782 |
ChEMBL | CHEMBL24774 |
IUPHAR | N/A |
BindingDB | 50025573 |
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 |
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223171 | Adenosine receptor A1 | P25099 | Adora1 | Rattus norvegicus (Rat) | 326 |
223169 | Adenosine receptor A2a | P30543 | Adora2a | Rattus norvegicus (Rat) | 410 |
223172 | Adenosine receptor A2a | P46616 | ADORA2A | Cavia porcellus (Guinea pig) | 409 |
223170 | Adenosine receptor A3 | P28647 | Adora3 | Rattus norvegicus (Rat) | 320 |
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