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Name | CHEMBL66811 |
---|---|
Molecular formula | C24H19N7O2 |
IUPAC name | 4-(furan-2-yl)-10-[(4-phenylmethoxyphenyl)methyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine |
Molecular weight | 437.463 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 3.6 |
Synonyms | BDBM50064699 7-(4-Benzyloxy-benzyl)-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine |
Inchi Key | ALPXBFYOHXHXPE-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C24H19N7O2/c25-24-28-22-19(23-27-21(29-31(23)24)20-7-4-12-32-20)13-26-30(22)14-16-8-10-18(11-9-16)33-15-17-5-2-1-3-6-17/h1-13H,14-15H2,(H2,25,28) |
PubChem CID | 10812872 |
ChEMBL | CHEMBL66811 |
IUPHAR | N/A |
BindingDB | 50064699 |
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 |
---|---|---|---|---|---|
8497 | Adenosine receptor A1 | P25099 | Adora1 | Rattus norvegicus (Rat) | 326 |
8494 | Adenosine receptor A2a | P29274 | ADORA2A | Homo sapiens (Human) | 412 |
8495 | Adenosine receptor A2a | P30543 | Adora2a | Rattus norvegicus (Rat) | 410 |
8496 | Adenosine receptor A3 | P0DMS8 | ADORA3 | Homo sapiens (Human) | 318 |
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