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Name | CHEMBL1628266 |
---|---|
Molecular formula | C26H26N6O4 |
IUPAC name | N-(4-cyanophenyl)-2-[4-[2,6-dioxo-1,3-bis(2,2,3,3,3-pentatritiopropyl)-7H-purin-8-yl]phenoxy]acetamide |
Molecular weight | 506.612 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 4.9 |
Synonyms | N/A |
Inchi Key | AJBBEYXFRYFVNM-XEMFKVMZSA-N |
Inchi ID | InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)/i1T3,2T3,3T2,4T2 |
PubChem CID | 53322105 |
ChEMBL | CHEMBL1628266 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
6739 | Adenosine receptor A2b | P29275 | ADORA2B | Homo sapiens (Human) | 332 |
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