| Collection |
D4 : TTD |
| Chemical Name |
12,13-DEHYDRO-8-O-ACETYLMANZAMINE A ( From PubChem : C H E M B L 2 5 2 5 2 0 ) |
| 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 |
| 588.782 g/mol |
1 |
5 |
7.4621 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 8 H 4 4 N 4 O 2 / c 1 - 2 6 ( 4 3 ) 4 4 - 3 3 - 1 6 - 1 2 - 1 5 - 2 9 - 3 0 - 1 7 - 1 9 - 3 9 - 3 5 ( 3 6 ( 3 0 ) 4 0 - 3 4 ( 2 9 ) 3 3 ) 3 1 - 2 3 - 2 7 - 1 3 - 8 - 4 - 2 - 3 - 6 - 1 0 - 2 0 - 4 1 - 2 2 - 1 8 - 3 2 ( 3 1 ) 3 8 ( 2 5 - 4 1 ) 2 4 - 2 8 - 1 4 - 9 - 5 - 7 - 1 1 - 2 1 - 4 2 ( 2 8 ) 3 7 ( 2 7 ) 3 8 / h 2 , 4 , 9 , 1 2 - 1 7 , 1 9 , 2 3 , 2 8 , 3 2 , 3 7 , 4 0 H , 3 , 5 - 8 , 1 0 - 1 1 , 1 8 , 2 0 - 2 2 , 2 4 - 2 5 H 2 , 1 H 3 / b 4 - 2 - , 1 4 - 9 - , 2 7 - 1 3 - / t 2 8 - , 3 2 - , 3 7 - , 3 8 - / m 0 / s 1 |
| InChIKey |
X A N H I H H F Y Z Z C B Y - Z X M D A N B S S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | GSK3B | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
