| Collection |
D4 : TTD |
| Chemical Name |
BIS(16)-HUPERZINE B ( From PubChem : B I S ( 1 6 ) - 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 |
| 793.091 g/mol |
2 |
8 |
6.536 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 4 8 H 6 8 N 6 O 4 / c 1 - 3 3 - 2 7 - 3 5 - 2 9 - 4 1 - 3 9 ( 1 5 - 1 7 - 4 3 ( 5 5 ) 4 9 - 4 1 ) 4 7 ( 3 1 - 3 3 ) 3 7 ( 3 5 ) 1 3 - 1 1 - 2 3 - 5 3 ( 4 7 ) 4 5 ( 5 7 ) 1 9 - 2 5 - 5 1 ( 3 ) 2 1 - 9 - 7 - 5 - 6 - 8 - 1 0 - 2 2 - 5 2 ( 4 ) 2 6 - 2 0 - 4 6 ( 5 8 ) 5 4 - 2 4 - 1 2 - 1 4 - 3 8 - 3 6 - 2 8 - 3 4 ( 2 ) 3 2 - 4 8 ( 3 8 , 5 4 ) 4 0 - 1 6 - 1 8 - 4 4 ( 5 6 ) 5 0 - 4 2 ( 4 0 ) 3 0 - 3 6 / h 1 5 - 1 8 , 2 7 - 2 8 , 3 5 - 3 8 H , 5 - 1 4 , 1 9 - 2 6 , 2 9 - 3 2 H 2 , 1 - 4 H 3 , ( H , 4 9 , 5 5 ) ( H , 5 0 , 5 6 ) / t 3 5 ? , 3 6 ? , 3 7 ? , 3 8 ? , 4 7 - , 4 8 - / m 1 / s 1 |
| InChIKey |
X C D Q I S L H K S K F L H - W K E S E Z P N 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
|
