| Collection |
D4 : TTD |
| Chemical Name |
STYLISSADINE A ( From PubChem : S T Y L I S S A D I N E A ) |
| 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 |
| 2094.29 g/mol |
22 |
33 |
6.4438 |
False(0/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 4 4 H 4 6 B r 8 N 2 0 O 9 . 4 C 2 H F 3 O 2 / c 4 5 - 1 3 - 1 - 1 7 ( 6 1 - 2 5 ( 1 3 ) 4 9 ) 2 9 ( 7 3 ) 5 7 - 5 - 9 - 1 1 ( 7 - 5 9 - 3 1 ( 7 5 ) 1 9 - 3 - 1 5 ( 4 7 ) 2 7 ( 5 1 ) 6 3 - 1 9 ) 2 3 ( 4 1 - 2 1 ( 9 ) 4 3 ( 7 7 ) 3 5 ( 6 7 - 3 9 ( 5 5 ) 7 1 - 4 3 ) 8 0 - 3 3 ( 4 1 ) 6 5 - 3 7 ( 5 3 ) 6 9 - 4 1 ) 7 9 - 2 4 - 1 2 ( 8 - 6 0 - 3 2 ( 7 6 ) 2 0 - 4 - 1 6 ( 4 8 ) 2 8 ( 5 2 ) 6 4 - 2 0 ) 1 0 ( 6 - 5 8 - 3 0 ( 7 4 ) 1 8 - 2 - 1 4 ( 4 6 ) 2 6 ( 5 0 ) 6 2 - 1 8 ) 2 2 - 4 2 ( 2 4 ) 3 4 ( 6 6 - 3 8 ( 5 4 ) 7 0 - 4 2 ) 8 1 - 3 6 - 4 4 ( 2 2 , 7 8 ) 7 2 - 4 0 ( 5 6 ) 6 8 - 3 6 ; 4 * 3 - 2 ( 4 , 5 ) 1 ( 6 ) 7 / h 1 - 4 , 9 - 1 2 , 2 1 - 2 4 , 3 3 - 3 6 , 6 1 - 6 4 , 7 7 - 7 8 H , 5 - 8 H 2 , ( H , 5 7 , 7 3 ) ( H , 5 8 , 7 4 ) ( H , 5 9 , 7 5 ) ( H , 6 0 , 7 6 ) ( H 3 , 5 3 , 6 5 , 6 9 ) ( H 3 , 5 4 , 6 6 , 7 0 ) ( H 3 , 5 5 , 6 7 , 7 1 ) ( H 3 , 5 6 , 6 8 , 7 2 ) ; 4 * ( H , 6 , 7 ) / t 9 - , 1 0 - , 1 1 - , 1 2 - , 2 1 ? , 2 2 ? , 2 3 + , 2 4 + , 3 3 ? , 3 4 ? , 3 5 ? , 3 6 ? , 4 1 + , 4 2 + , 4 3 - , 4 4 - ; ; ; ; / m 1 . . . . / s 1 |
| InChIKey |
P W A Q C Z X Q K I U I B J - I Q J X H S M J S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | P2RX7 | | | Discontinued target |
|
| Download gene sets |
gmt, text, Detailed text
|
