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Name | CID 46876685 |
---|---|
Molecular formula | C21H21N7O4 |
IUPAC name | (3R,4S,5R)-2-[6-amino-2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol |
Molecular weight | 435.444 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 5 |
XlogP | 2.1 |
Synonyms | N/A |
Inchi Key | BUYDXKBPOOYHPY-SHTSFZPOSA-N |
Inchi ID | InChI=1S/C21H21N7O4/c22-18-15-19(28(10-23-15)20-17(31)16(30)14(9-29)32-20)26-21(25-18)27-24-8-12-6-3-5-11-4-1-2-7-13(11)12/h1-8,10,14,16-17,20,29-31H,9H2,(H3,22,25,26,27)/b24-8+/t14-,16-,17-,20?/m1/s1 |
PubChem CID | 46876685 |
ChEMBL | CHEMBL608175 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
33446 | Adenosine receptor A1 | P47745 | ADORA1 | Cavia porcellus (Guinea pig) | 326 |
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