| Collection |
D4 : TTD |
| Chemical Name |
AVPIAQKSEK-FAM ( From PubChem : C H E M B L 4 0 4 7 8 8 ) |
| 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 |
| 1525.61 g/mol |
16 |
37 |
4.1609 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 7 2 H 9 6 N 1 4 O 2 3 / c 1 - 7 - 3 6 ( 4 ) 6 0 ( 8 4 - 6 7 ( 1 0 1 ) 5 0 - 1 8 - 1 3 - 3 1 - 8 5 ( 5 0 ) 7 0 ( 1 0 4 ) 5 9 ( 3 5 ( 2 ) 3 ) 8 3 - 6 1 ( 9 5 ) 3 7 ( 5 ) 7 4 ) 6 9 ( 1 0 3 ) 7 7 - 3 8 ( 6 ) 6 2 ( 9 6 ) 7 8 - 4 6 ( 2 3 - 2 5 - 5 3 ( 7 5 ) 9 0 ) 6 4 ( 9 8 ) 7 9 - 4 5 ( 1 6 - 8 - 1 0 - 2 9 - 7 3 ) 6 3 ( 9 7 ) 8 2 - 4 9 ( 3 4 - 8 7 ) 6 6 ( 1 0 0 ) 8 0 - 4 7 ( 2 4 - 2 8 - 5 6 ( 9 3 ) 9 4 ) 6 5 ( 9 9 ) 8 1 - 4 8 ( 7 1 ( 1 0 5 ) 1 0 6 ) 1 7 - 9 - 1 1 - 3 0 - 7 6 - 6 8 ( 1 0 2 ) 5 8 - 4 3 ( 1 4 - 1 2 - 1 5 - 4 4 ( 5 8 ) 7 2 ( 1 0 7 ) 1 0 9 - 8 6 - 5 4 ( 9 1 ) 2 6 - 2 7 - 5 5 ( 8 6 ) 9 2 ) 5 7 - 4 1 - 2 1 - 1 9 - 3 9 ( 8 8 ) 3 2 - 5 1 ( 4 1 ) 1 0 8 - 5 2 - 3 3 - 4 0 ( 8 9 ) 2 0 - 2 2 - 4 2 ( 5 2 ) 5 7 / h 1 2 , 1 4 - 1 5 , 1 9 - 2 2 , 3 2 - 3 3 , 3 5 - 3 8 , 4 5 - 5 0 , 5 9 - 6 0 , 8 7 - 8 8 H , 7 - 1 1 , 1 3 , 1 6 - 1 8 , 2 3 - 3 1 , 3 4 , 7 3 - 7 4 H 2 , 1 - 6 H 3 , ( H 2 , 7 5 , 9 0 ) ( H , 7 6 , 1 0 2 ) ( H , 7 7 , 1 0 3 ) ( H , 7 8 , 9 6 ) ( H , 7 9 , 9 8 ) ( H , 8 0 , 1 0 0 ) ( H , 8 1 , 9 9 ) ( H , 8 2 , 9 7 ) ( H , 8 3 , 9 5 ) ( H , 8 4 , 1 0 1 ) ( H , 9 3 , 9 4 ) ( H , 1 0 5 , 1 0 6 ) / t 3 6 - , 3 7 - , 3 8 - , 4 5 - , 4 6 - , 4 7 - , 4 8 - , 4 9 - , 5 0 - , 5 9 - , 6 0 - / m 0 / s 1 |
| InChIKey |
U I H I J A R X X M W K O D - U V B G Q C G D S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | XIAP | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
