| Collection |
D4 : TTD |
| Chemical Name |
(S,S)-(-)-bis(12)-hupyridone ( From PubChem : ( S , S ) - ( - ) - B I S ( 1 2 ) - H U P Y R I D O N E ) |
| 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 |
| 494.712 g/mol |
4 |
4 |
6.3802 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 0 H 4 6 N 4 O 2 / c 3 5 - 2 9 - 1 9 - 1 7 - 2 3 - 2 5 ( 1 3 - 1 1 - 1 5 - 2 7 ( 2 3 ) 3 3 - 2 9 ) 3 1 - 2 1 - 9 - 7 - 5 - 3 - 1 - 2 - 4 - 6 - 8 - 1 0 - 2 2 - 3 2 - 2 6 - 1 4 - 1 2 - 1 6 - 2 8 - 2 4 ( 2 6 ) 1 8 - 2 0 - 3 0 ( 3 6 ) 3 4 - 2 8 / h 1 7 - 2 0 , 2 5 - 2 6 , 3 1 - 3 2 H , 1 - 1 6 , 2 1 - 2 2 H 2 , ( H , 3 3 , 3 5 ) ( H , 3 4 , 3 6 ) / t 2 5 - , 2 6 - / m 0 / s 1 |
| InChIKey |
V F F G Y P Z O R Q B R N M - U I O O F Z C W S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | ACHE | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
