| Collection |
D4 : TTD |
| Chemical Name |
1-Benzyl-3-methyl-3,7-dihydro-purine-2,6-dione ( From PubChem : 1 H - P U R I N E - 2 , 6 - D I O N E , 3 , 7 - D I H Y D R O - 3 - M E T H Y L - 1 - ( P H E N Y L M E T H Y L ) - ) |
| FDA |
NPC |
WHO |
Indian |
Australia |
China |
Traditional
Herbal |
Clinical
Trail |
| Not | Not | Not | Not | Not | Not | Not | Not |
|
Molecular
Weight |
Hydrogen Bond
Donor Count |
Hydrogen Bond
Acceptor Count |
cLogP |
Lipinski Rule |
| 256.26 g/mol |
1 |
5 |
0.4716 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 3 H 1 2 N 4 O 2 / c 1 - 1 6 - 1 1 - 1 0 ( 1 4 - 8 - 1 5 - 1 1 ) 1 2 ( 1 8 ) 1 7 ( 1 3 ( 1 6 ) 1 9 ) 7 - 9 - 5 - 3 - 2 - 4 - 6 - 9 / h 2 - 6 , 8 H , 7 H 2 , 1 H 3 , ( H , 1 4 , 1 5 ) |
| InChIKey |
Y A Y R U H P C X I P T I D - U H F F F A O Y S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | ADORA2B | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
