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Name | CHEMBL484112 |
---|---|
Molecular formula | C24H20N6O3 |
IUPAC name | 1-benzyl-3-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]urea |
Molecular weight | 440.463 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 3.2 |
Synonyms | BDBM50271537 4-benzylureido-1,2-dihydro-2-(4-methoxyphenyl)-1,2,4-triazolo[4,3-a]quinoxalin-1-one |
Inchi Key | BZBPDOMOOAFDFM-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C24H20N6O3/c1-33-18-13-11-17(12-14-18)30-24(32)29-20-10-6-5-9-19(20)26-21(22(29)28-30)27-23(31)25-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H2,25,26,27,31) |
PubChem CID | 44586254 |
ChEMBL | CHEMBL484112 |
IUPHAR | N/A |
BindingDB | 50271537 |
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 |
---|---|---|---|---|---|
36295 | Adenosine receptor A1 | P30542 | ADORA1 | Homo sapiens (Human) | 326 |
36297 | Adenosine receptor A1 | P28190 | ADORA1 | Bos taurus (Bovine) | 326 |
36296 | Adenosine receptor A2a | P29274 | ADORA2A | Homo sapiens (Human) | 412 |
36294 | Adenosine receptor A3 | P0DMS8 | ADORA3 | Homo sapiens (Human) | 318 |
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