| Collection |
D4 : TTD |
| Chemical Name |
ZANKIREN ( From PubChem : Z A N K I R E N ) |
| 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 |
| 705.971 g/mol |
4 |
12 |
4.568 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 5 H 5 5 N 5 O 6 S 2 / c 1 - 2 5 ( 2 ) 1 8 - 3 2 ( 4 1 ) 3 3 ( 4 2 ) 3 0 ( 2 0 - 2 7 - 1 2 - 8 - 5 - 9 - 1 3 - 2 7 ) 3 7 - 3 5 ( 4 4 ) 3 1 ( 2 1 - 2 9 - 2 2 - 4 7 - 2 4 - 3 6 - 2 9 ) 3 8 - 3 4 ( 4 3 ) 2 8 ( 1 9 - 2 6 - 1 0 - 6 - 4 - 7 - 1 1 - 2 6 ) 2 3 - 4 8 ( 4 5 , 4 6 ) 4 0 - 1 6 - 1 4 - 3 9 ( 3 ) 1 5 - 1 7 - 4 0 / h 4 , 6 - 7 , 1 0 - 1 1 , 2 2 , 2 4 - 2 5 , 2 7 - 2 8 , 3 0 - 3 3 , 4 1 - 4 2 H , 5 , 8 - 9 , 1 2 - 2 1 , 2 3 H 2 , 1 - 3 H 3 , ( H , 3 7 , 4 4 ) ( H , 3 8 , 4 3 ) / t 2 8 - , 3 0 + , 3 1 + , 3 2 + , 3 3 - / m 1 / s 1 |
| InChIKey |
Y F D S D R D M D D G D F C - H O Q Q K O L Y S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | REN | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
