| Collection |
D4 : TTD |
| Chemical Name |
8-O-(4-toluenesulfonyl)manzamine A ( From PubChem : C H E M B L 4 0 3 5 6 1 ) |
| 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 |
| 718.946 g/mol |
2 |
7 |
8.8885 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 4 3 H 5 0 N 4 O 4 S / c 1 - 3 0 - 1 6 - 1 8 - 3 2 ( 1 9 - 1 7 - 3 0 ) 5 2 ( 4 9 , 5 0 ) 5 1 - 3 7 - 1 5 - 1 2 - 1 4 - 3 3 - 3 4 - 2 0 - 2 3 - 4 4 - 3 9 ( 4 0 ( 3 4 ) 4 5 - 3 8 ( 3 3 ) 3 7 ) 3 5 - 2 8 - 4 3 ( 4 8 ) 2 2 - 9 - 5 - 2 - 3 - 6 - 1 0 - 2 4 - 4 6 - 2 6 - 2 1 - 3 6 ( 3 5 ) 4 2 ( 2 9 - 4 6 ) 2 7 - 3 1 - 1 3 - 8 - 4 - 7 - 1 1 - 2 5 - 4 7 ( 3 1 ) 4 1 ( 4 2 ) 4 3 / h 2 , 5 , 8 , 1 2 - 2 0 , 2 3 , 2 8 , 3 1 , 3 6 , 4 1 , 4 5 , 4 8 H , 3 - 4 , 6 - 7 , 9 - 1 1 , 2 1 - 2 2 , 2 4 - 2 7 , 2 9 H 2 , 1 H 3 / b 5 - 2 - , 1 3 - 8 - / t 3 1 ? , 3 6 ? , 4 1 ? , 4 2 - , 4 3 - / m 0 / s 1 |
| InChIKey |
Y Y O D I L D W W W V N H Z - G V A O N Z C 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
|
