| Collection |
D4 : TTD |
| Chemical Name |
Neo-kauluamine ( From PubChem : N E O - K A U L U A M I N E ) |
| 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 |
| 1163.54 g/mol |
6 |
12 |
10.4256 |
False(0/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 7 2 H 9 0 N 8 O 6 / c 8 1 - 5 8 - 2 2 - 1 7 - 3 7 - 7 9 - 4 0 - 2 9 - 6 1 ( 5 8 ) 8 6 - 7 2 - 3 2 - 2 3 - 6 0 ( 8 5 - 4 7 - 6 9 - 4 6 - 7 8 - 3 6 - 1 6 - 8 - 3 - 1 - 5 - 1 3 - 3 0 - 7 0 ( 8 3 , 6 6 ( 6 9 ) 7 9 ) 4 2 - 5 3 ( 5 5 ( 6 9 ) 2 7 - 3 9 - 7 8 ) 6 3 - 6 5 - 5 1 ( 2 5 - 3 4 - 7 4 - 6 3 ) 4 9 - 1 9 - 1 0 - 1 2 - 2 1 - 5 7 ( 4 9 ) 7 6 - 6 5 ) 5 9 ( 8 2 ) 2 8 - 4 1 - 8 0 ( 7 2 ) 6 7 - 6 8 ( 4 4 - 7 2 ) 4 5 - 7 7 - 3 5 - 1 5 - 7 - 4 - 2 - 6 - 1 4 - 3 1 - 7 1 ( 6 7 , 8 4 ) 4 3 - 5 2 ( 5 4 ( 6 8 ) 2 6 - 3 8 - 7 7 ) 6 2 - 6 4 - 5 0 ( 2 4 - 3 3 - 7 3 - 6 2 ) 4 8 - 1 8 - 9 - 1 1 - 2 0 - 5 6 ( 4 8 ) 7 5 - 6 4 / h 1 - 2 , 5 - 6 , 9 - 1 2 , 1 8 - 2 1 , 2 4 - 2 5 , 3 3 - 3 4 , 4 2 - 4 3 , 5 4 - 5 5 , 5 8 - 6 1 , 6 6 - 6 7 , 7 5 - 7 6 , 8 1 - 8 4 H , 3 - 4 , 7 - 8 , 1 3 - 1 7 , 2 2 - 2 3 , 2 6 - 3 2 , 3 5 - 4 1 , 4 4 - 4 7 H 2 / b 5 - 1 - , 6 - 2 - / t 5 4 ? , 5 5 ? , 5 8 - , 5 9 + , 6 0 ? , 6 1 ? , 6 6 ? , 6 7 ? , 6 8 + , 6 9 - , 7 0 + , 7 1 + , 7 2 - / m 1 / s 1 |
| InChIKey |
Q B Y W K A B D Y A E E I S - P Q T F E B C U 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
|
