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Name | 14114-46-6 |
---|---|
Molecular formula | C10H10N4O2 |
IUPAC name | 3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione |
Molecular weight | 218.216 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 0 |
XlogP | 0.0 |
Synonyms | 3,7-Dimethyl-1-propargylxanthine, >=98% (HPLC), powder AKOS016001452 CHEMBL282038 EU-0100428 Lopac0_000428 [ Show all ] |
Inchi Key | IORPOFJLSIHJOG-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C10H10N4O2/c1-4-5-14-9(15)7-8(11-6-12(7)2)13(3)10(14)16/h1,6H,5H2,2-3H3 |
PubChem CID | 99562 |
ChEMBL | CHEMBL282038 |
IUPHAR | N/A |
BindingDB | 50008386 |
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 |
---|---|---|---|---|---|
138130 | Adenosine receptor A1 | P25099 | Adora1 | Rattus norvegicus (Rat) | 326 |
138133 | Adenosine receptor A2a | P30543 | Adora2a | Rattus norvegicus (Rat) | 410 |
138134 | Adenosine receptor A2a | P46616 | ADORA2A | Cavia porcellus (Guinea pig) | 409 |
138132 | Adenosine receptor A2b | P29275 | ADORA2B | Homo sapiens (Human) | 332 |
138131 | Adenosine receptor A3 | P28647 | Adora3 | Rattus norvegicus (Rat) | 320 |
447125 | Adenosine receptor A3 | P0DMS8 | ADORA3 | Homo sapiens (Human) | 318 |
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