| Collection |
D4 : TTD |
| Chemical Name |
BIS(9)-HUPERZINE B ( From PubChem : B I S ( 9 ) - H U P E R Z I N E B ) |
| 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 |
| 694.905 g/mol |
2 |
8 |
3.8053 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 4 1 H 5 4 N 6 O 4 / c 1 - 2 6 - 1 8 - 2 8 - 2 0 - 3 4 - 3 2 ( 1 0 - 1 2 - 3 6 ( 4 8 ) 4 2 - 3 4 ) 4 0 ( 2 2 - 2 6 ) 3 0 ( 2 8 ) 8 - 5 - 1 6 - 4 6 ( 4 0 ) 3 8 ( 5 0 ) 2 4 - 4 4 ( 3 ) 1 4 - 7 - 1 5 - 4 5 ( 4 ) 2 5 - 3 9 ( 5 1 ) 4 7 - 1 7 - 6 - 9 - 3 1 - 2 9 - 1 9 - 2 7 ( 2 ) 2 3 - 4 1 ( 3 1 , 4 7 ) 3 3 - 1 1 - 1 3 - 3 7 ( 4 9 ) 4 3 - 3 5 ( 3 3 ) 2 1 - 2 9 / h 1 0 - 1 3 , 1 8 - 1 9 , 2 8 - 3 1 H , 5 - 9 , 1 4 - 1 7 , 2 0 - 2 5 H 2 , 1 - 4 H 3 , ( H , 4 2 , 4 8 ) ( H , 4 3 , 4 9 ) / t 2 8 ? , 2 9 ? , 3 0 ? , 3 1 ? , 4 0 - , 4 1 - / m 1 / s 1 |
| InChIKey |
K T F G B M X G P U I Y S S - X C U L U U A G 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
|
