| Collection |
D4 : TTD |
| Chemical Name |
L-709049 ( From PubChem : A C - Y V A D - C H O ) |
| 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 |
| 492.522 g/mol |
6 |
12 |
0.8069 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 3 H 3 2 N 4 O 8 / c 1 - 1 2 ( 2 ) 2 0 ( 2 3 ( 3 5 ) 2 4 - 1 3 ( 3 ) 2 1 ( 3 3 ) 2 6 - 1 6 ( 1 1 - 2 8 ) 1 0 - 1 9 ( 3 1 ) 3 2 ) 2 7 - 2 2 ( 3 4 ) 1 8 ( 2 5 - 1 4 ( 4 ) 2 9 ) 9 - 1 5 - 5 - 7 - 1 7 ( 3 0 ) 8 - 6 - 1 5 / h 5 - 8 , 1 1 - 1 3 , 1 6 , 1 8 , 2 0 , 3 0 H , 9 - 1 0 H 2 , 1 - 4 H 3 , ( H , 2 4 , 3 5 ) ( H , 2 5 , 2 9 ) ( H , 2 6 , 3 3 ) ( H , 2 7 , 3 4 ) ( H , 3 1 , 3 2 ) / t 1 3 - , 1 6 - , 1 8 - , 2 0 - / m 0 / s 1 |
| InChIKey |
L P I A R A L S G D V Z E P - S J V N D Z I O S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | CASP1 | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
