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Name | CHEMBL187366 |
---|---|
Molecular formula | C19H17F3N8O |
IUPAC name | 2-(furan-2-yl)-5-[4-[(2,3,6-trifluorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine |
Molecular weight | 430.395 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 1 |
XlogP | 2.3 |
Synonyms | BDBM50151181 2-Furan-2-yl-5-[4-(2,3,6-trifluoro-benzyl)-piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine |
Inchi Key | AXSTVTUNUISZFM-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C19H17F3N8O/c20-12-3-4-13(21)15(22)11(12)10-28-5-7-29(8-6-28)18-25-17(23)30-19(26-18)24-16(27-30)14-2-1-9-31-14/h1-4,9H,5-8,10H2,(H2,23,24,25,26,27) |
PubChem CID | 11774744 |
ChEMBL | CHEMBL187366 |
IUPHAR | N/A |
BindingDB | 50151181 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
17053 | Adenosine receptor A1 | P25099 | Adora1 | Rattus norvegicus (Rat) | 326 |
17054 | Adenosine receptor A2a | P30543 | Adora2a | Rattus norvegicus (Rat) | 410 |
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