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Name | CHEMBL380031 |
---|---|
Molecular formula | C29H22N6O2 |
IUPAC name | N-(6-amino-1-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-2,2-diphenylacetamide |
Molecular weight | 486.535 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 4.5 |
Synonyms | BDBM50189817 6-amino-1,2-dihydro-2-phenyl-4-diphenylacetamido-1,2,4-triazolo[4,3-a]quinoxalin-1-one |
Inchi Key | CVTMECIYXVPNLC-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C29H22N6O2/c30-22-17-10-18-23-25(22)31-26(27-33-35(29(37)34(23)27)21-15-8-3-9-16-21)32-28(36)24(19-11-4-1-5-12-19)20-13-6-2-7-14-20/h1-18,24H,30H2,(H,31,32,36) |
PubChem CID | 11554879 |
ChEMBL | CHEMBL380031 |
IUPHAR | N/A |
BindingDB | 50189817 |
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 |
---|---|---|---|---|---|
51771 | Adenosine receptor A1 | P28190 | ADORA1 | Bos taurus (Bovine) | 326 |
51772 | Adenosine receptor A1 | P30542 | ADORA1 | Homo sapiens (Human) | 326 |
51774 | Adenosine receptor A2a | P29274 | ADORA2A | Homo sapiens (Human) | 412 |
51773 | Adenosine receptor A3 | P0DMS8 | ADORA3 | Homo sapiens (Human) | 318 |
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