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Name | CHEMBL475026 |
---|---|
Molecular formula | C29H20N6O4 |
IUPAC name | N-benzoyl-N-[4-(4-methoxyphenyl)-3-oxo-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-7-yl]benzamide |
Molecular weight | 516.517 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 0 |
XlogP | 4.4 |
Synonyms | N-benzoyl-N-(2-(4-methoxyphenyl)-1-oxo-1,2-dihydropyrido[2,3-e][1,2,4]triazolo[4,3-a]pyrazin-4-yl)benzamide BDBM50257113 |
Inchi Key | BRKDNDQASKSJSQ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C29H20N6O4/c1-39-22-16-14-21(15-17-22)35-29(38)33-23-13-8-18-30-24(23)31-25(26(33)32-35)34(27(36)19-9-4-2-5-10-19)28(37)20-11-6-3-7-12-20/h2-18H,1H3 |
PubChem CID | 42626077 |
ChEMBL | CHEMBL475026 |
IUPHAR | N/A |
BindingDB | 50257113 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
31067 | Adenosine receptor A1 | P28190 | ADORA1 | Bos taurus (Bovine) | 326 |
442878 | Adenosine receptor A1 | P30542 | ADORA1 | Homo sapiens (Human) | 326 |
442879 | Adenosine receptor A2a | P29274 | ADORA2A | Homo sapiens (Human) | 412 |
31066 | Adenosine receptor A3 | P0DMS8 | ADORA3 | Homo sapiens (Human) | 318 |
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