| Collection |
D4 : TTD |
| Chemical Name |
8-O-(4-chlorobenzenesulfonyl)manzamine F ( From PubChem : C H E M B L 4 0 0 7 1 7 ) |
| 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 |
| 755.364 g/mol |
2 |
8 |
8.6365 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 4 2 H 4 7 C l N 4 O 5 S / c 4 3 - 2 8 - 1 2 - 1 6 - 3 1 ( 1 7 - 1 3 - 2 8 ) 5 3 ( 5 0 , 5 1 ) 5 2 - 3 6 - 1 1 - 7 - 1 0 - 3 2 - 3 3 - 1 8 - 2 1 - 4 4 - 3 8 ( 3 9 ( 3 3 ) 4 5 - 3 7 ( 3 2 ) 3 6 ) 3 4 - 2 6 - 4 2 ( 4 9 ) 2 0 - 5 - 3 - 1 - 2 - 4 - 6 - 2 2 - 4 6 - 2 4 - 1 9 - 3 5 ( 3 4 ) 4 1 ( 2 7 - 4 6 ) 2 5 - 2 9 - 1 4 - 1 5 - 3 0 ( 4 8 ) 9 - 8 - 2 3 - 4 7 ( 2 9 ) 4 0 ( 4 1 ) 4 2 / h 1 , 3 , 7 , 1 0 - 1 3 , 1 6 - 1 8 , 2 1 , 2 6 , 2 9 , 3 5 , 4 0 , 4 5 , 4 9 H , 2 , 4 - 6 , 8 - 9 , 1 4 - 1 5 , 1 9 - 2 0 , 2 2 - 2 5 , 2 7 H 2 / b 3 - 1 - / t 2 9 ? , 3 5 ? , 4 0 ? , 4 1 - , 4 2 - / m 0 / s 1 |
| InChIKey |
M S U M H G M G R Z W L M N - L I Z A V N F X 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
|
