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Name | AC1OA4F2 |
---|---|
Molecular formula | C13H12N4O3 |
IUPAC name | 8-(2-hydroxyphenyl)-1,3-dimethyl-7H-purine-2,6-dione |
Molecular weight | 272.264 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 2.1 |
Synonyms | 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl)phenolate AKOS005710257 MLS000551582 STL057663 8-(2-hydroxyphenyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione [ Show all ] |
Inchi Key | AQYLAPWVIRRDFG-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C13H12N4O3/c1-16-11-9(12(19)17(2)13(16)20)14-10(15-11)7-5-3-4-6-8(7)18/h3-6,18H,1-2H3,(H,14,15) |
PubChem CID | 936355 |
ChEMBL | CHEMBL415248 |
IUPHAR | N/A |
BindingDB | 50020845 |
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 |
---|---|---|---|---|---|
557635 | Adenosine receptor A1 | P25099 | Adora1 | Rattus norvegicus (Rat) | 326 |
557636 | Adenosine receptor A1 | P28190 | ADORA1 | Bos taurus (Bovine) | 326 |
557637 | Adenosine receptor A2a | P46616 | ADORA2A | Cavia porcellus (Guinea pig) | 409 |
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