You can:
| Name | CHEMBL112669 |
|---|---|
| Molecular formula | C25H33N7O7 |
| IUPAC name | 2-[[2-[2-[[2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetyl]amino]ethylamino]-2-oxoethyl]amino]acetic acid |
| Molecular weight | 543.581 |
| Hydrogen bond acceptor | 9 |
| Hydrogen bond donor | 5 |
| XlogP | -0.1 |
| Synonyms | BDBM50037438 [[2-[[2-[[2-[4-[(1,3-Dipropyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin)-8-yl]phenoxy]acetyl]amino]ethyl]amino]-2-oxoethyl]amino]acetic acid {[(2-{2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetylamino}-ethylcarbamoyl)-methyl]-amino}-acetic acid |
| Inchi Key | DLIFOYBZSVXZFZ-UHFFFAOYSA-N |
| Inchi ID | InChI=1S/C25H33N7O7/c1-3-11-31-23-21(24(37)32(12-4-2)25(31)38)29-22(30-23)16-5-7-17(8-6-16)39-15-19(34)28-10-9-27-18(33)13-26-14-20(35)36/h5-8,26H,3-4,9-15H2,1-2H3,(H,27,33)(H,28,34)(H,29,30)(H,35,36) |
| PubChem CID | 10392599 |
| ChEMBL | CHEMBL112669 |
| IUPHAR | N/A |
| BindingDB | 50037438 |
| DrugBank | N/A |
Structure |  |
| Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
You can:
| GLASS ID | Name | UniProt | Gene | Species | Length |
|---|---|---|---|---|---|
| 62974 | Adenosine receptor A1 | P25099 | Adora1 | Rattus norvegicus (Rat) | 326 |
| 62972 | Adenosine receptor A2a | P30543 | Adora2a | Rattus norvegicus (Rat) | 410 |
| 62973 | Adenosine receptor A3 | P28647 | Adora3 | Rattus norvegicus (Rat) | 320 |
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