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Name | CHEMBL276830 |
---|---|
Molecular formula | C13H13N5O2 |
IUPAC name | 8-(4-aminophenyl)-1,3-dimethyl-7H-purine-2,6-dione |
Molecular weight | 271.28 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 1.5 |
Synonyms | BDBM50020852 PDSP1_001020 8-(4-Amino-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione PDSP2_001004 8-(4-Aminophenyl)theophylline [ Show all ] |
Inchi Key | LWDNIXPAGBUFTP-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C13H13N5O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-3-5-8(14)6-4-7/h3-6H,14H2,1-2H3,(H,15,16) |
PubChem CID | 13525058 |
ChEMBL | CHEMBL276830 |
IUPHAR | N/A |
BindingDB | 50020852 |
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 |
---|---|---|---|---|---|
197955 | Adenosine receptor A1 | P25099 | Adora1 | Rattus norvegicus (Rat) | 326 |
197957 | Adenosine receptor A1 | P28190 | ADORA1 | Bos taurus (Bovine) | 326 |
197956 | Adenosine receptor A2a | P46616 | ADORA2A | Cavia porcellus (Guinea pig) | 409 |
556265 | Adenosine receptor A2a | P29274 | ADORA2A | Homo sapiens (Human) | 412 |
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