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Name | MRE 3008-F20 |
---|---|
Molecular formula | C21H20N8O3 |
IUPAC name | 1-[4-(furan-2-yl)-11-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-(4-methoxyphenyl)urea |
Molecular weight | 432.444 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 2.5 |
Synonyms | D0A6IO MolPort-023-277-046 [3H]MRE 3008F20 GTPL477 MRE-3008F-20 [ Show all ] |
Inchi Key | CJRNHKSLHHWUAB-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30) |
PubChem CID | 5310960 |
ChEMBL | CHEMBL302765 |
IUPHAR | 459, 477 |
BindingDB | 85618 |
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 |
---|---|---|---|---|---|
43644 | Adenosine receptor A1 | P25099 | Adora1 | Rattus norvegicus (Rat) | 326 |
43645 | Adenosine receptor A1 | P30542 | ADORA1 | Homo sapiens (Human) | 326 |
43648 | Adenosine receptor A2a | P29274 | ADORA2A | Homo sapiens (Human) | 412 |
43649 | Adenosine receptor A2a | P30543 | Adora2a | Rattus norvegicus (Rat) | 410 |
43647 | Adenosine receptor A2b | P29275 | ADORA2B | Homo sapiens (Human) | 332 |
43646 | Adenosine receptor A3 | P0DMS8 | ADORA3 | Homo sapiens (Human) | 318 |
43650 | Adenosine receptor A3 | P28647 | Adora3 | Rattus norvegicus (Rat) | 320 |
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