| Collection |
D4 : TTD |
| Chemical Name |
YVAD ( From PubChem : Y V A D ) |
| 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 |
| 526.967 g/mol |
6 |
12 |
1.5459 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 3 H 3 1 C l N 4 O 8 / c 1 - 1 1 ( 2 ) 1 9 ( 2 8 - 2 3 ( 3 6 ) 2 0 ( 2 6 - 1 3 ( 4 ) 2 9 ) 1 4 - 5 - 7 - 1 5 ( 3 0 ) 8 - 6 - 1 4 ) 2 2 ( 3 5 ) 2 5 - 1 2 ( 3 ) 2 1 ( 3 4 ) 2 7 - 1 6 ( 9 - 1 8 ( 3 2 ) 3 3 ) 1 7 ( 3 1 ) 1 0 - 2 4 / h 5 - 8 , 1 1 - 1 2 , 1 6 , 1 9 - 2 0 , 3 0 H , 9 - 1 0 H 2 , 1 - 4 H 3 , ( H , 2 5 , 3 5 ) ( H , 2 6 , 2 9 ) ( H , 2 7 , 3 4 ) ( H , 2 8 , 3 6 ) ( H , 3 2 , 3 3 ) / t 1 2 - , 1 6 - , 1 9 ? , 2 0 - / m 0 / s 1 |
| InChIKey |
N Z F J K T K B V Z F J P T - M F D X P F Q T 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
|
