| Collection |
D4 : TTD |
| Chemical Name |
PFFFFF ( From PubChem : P F F F F F ) |
| 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 |
| 851.0 g/mol |
7 |
13 |
5.7438 |
False(0/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 5 0 H 5 4 N 6 O 7 / c 5 7 - 4 5 ( 3 9 - 2 7 - 1 6 - 2 8 - 5 1 - 3 9 ) 5 2 - 4 0 ( 2 9 - 3 4 - 1 7 - 6 - 1 - 7 - 1 8 - 3 4 ) 4 6 ( 5 8 ) 5 3 - 4 1 ( 3 0 - 3 5 - 1 9 - 8 - 2 - 9 - 2 0 - 3 5 ) 4 7 ( 5 9 ) 5 4 - 4 2 ( 3 1 - 3 6 - 2 1 - 1 0 - 3 - 1 1 - 2 2 - 3 6 ) 4 8 ( 6 0 ) 5 5 - 4 3 ( 3 2 - 3 7 - 2 3 - 1 2 - 4 - 1 3 - 2 4 - 3 7 ) 4 9 ( 6 1 ) 5 6 - 4 4 ( 5 0 ( 6 2 ) 6 3 ) 3 3 - 3 8 - 2 5 - 1 4 - 5 - 1 5 - 2 6 - 3 8 / h 1 - 1 5 , 1 7 - 2 6 , 3 9 - 4 4 , 5 1 H , 1 6 , 2 7 - 3 3 H 2 , ( H , 5 2 , 5 7 ) ( H , 5 3 , 5 8 ) ( H , 5 4 , 5 9 ) ( H , 5 5 , 6 0 ) ( H , 5 6 , 6 1 ) ( H , 6 2 , 6 3 ) / t 3 9 - , 4 0 - , 4 1 - , 4 2 - , 4 3 - , 4 4 - / m 0 / s 1 |
| InChIKey |
G F X H Q P Y Z L J K W E I - W G X S S Y H U S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | LGALS3 | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
