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Name | BDBM85526 |
---|---|
Molecular formula | C18H22IN7O4 |
IUPAC name | 2-[6-amino-2-[2-(4-amino-3-iodophenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol |
Molecular weight | 527.323 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 6 |
XlogP | 1.2 |
Synonyms | CAS_190964 NSC_190964 |
Inchi Key | AFFIAFORFZHTLX-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C18H22IN7O4/c19-9-5-8(1-2-10(9)20)3-4-22-18-24-15(21)12-16(25-18)26(7-23-12)17-14(29)13(28)11(6-27)30-17/h1-2,5,7,11,13-14,17,27-29H,3-4,6,20H2,(H3,21,22,24,25) |
PubChem CID | 53463463 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 85526 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
4123 | Adenosine receptor A2b | P29275 | ADORA2B | Homo sapiens (Human) | 332 |
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