| Collection |
D4 : TTD |
| Chemical Name |
9-N-ETHYL-8-ETHOXY-MANZAMINE A ( From PubChem : C H E M B L 4 0 3 5 6 2 ) |
| 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 |
| 620.866 g/mol |
1 |
6 |
7.6236 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 4 0 H 5 2 N 4 O 2 / c 1 - 3 - 4 3 - 3 6 - 3 0 ( 1 7 - 1 5 - 1 8 - 3 4 ( 3 6 ) 4 6 - 4 - 2 ) 3 1 - 1 9 - 2 2 - 4 1 - 3 5 ( 3 7 ( 3 1 ) 4 3 ) 3 2 - 2 7 - 4 0 ( 4 5 ) 2 1 - 1 2 - 8 - 5 - 6 - 9 - 1 3 - 2 3 - 4 2 - 2 5 - 2 0 - 3 3 ( 3 2 ) 3 9 ( 2 8 - 4 2 ) 2 6 - 2 9 - 1 6 - 1 1 - 7 - 1 0 - 1 4 - 2 4 - 4 4 ( 2 9 ) 3 8 ( 3 9 ) 4 0 / h 5 , 8 , 1 1 , 1 5 - 1 9 , 2 2 , 2 7 , 2 9 , 3 3 , 3 8 , 4 5 H , 3 - 4 , 6 - 7 , 9 - 1 0 , 1 2 - 1 4 , 2 0 - 2 1 , 2 3 - 2 6 , 2 8 H 2 , 1 - 2 H 3 / b 8 - 5 - , 1 6 - 1 1 - / t 2 9 - , 3 3 - , 3 8 + , 3 9 - , 4 0 - / m 0 / s 1 |
| InChIKey |
Z O Z M Q O Q R A X C U J A - W X L A F Z A M 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
|
