| Collection |
D4 : TTD |
| Chemical Name |
Boc-Agly-Val-Agly-OEt ( From PubChem : C H E M B L 1 3 5 4 1 3 ) |
| 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 |
| 416.512 g/mol |
4 |
10 |
3.4075 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 9 H 3 6 N 4 O 6 / c 1 - 9 - 2 8 - 1 8 ( 2 7 ) 2 3 - 2 2 - 1 6 ( 2 5 ) 1 4 ( 1 2 ( 4 ) 5 ) 2 1 - 1 5 ( 2 4 ) 1 3 ( 1 0 - 1 1 ( 2 ) 3 ) 2 0 - 1 7 ( 2 6 ) 2 9 - 1 9 ( 6 , 7 ) 8 / h 1 1 - 1 4 H , 9 - 1 0 H 2 , 1 - 8 H 3 , ( H , 2 0 , 2 6 ) ( H , 2 1 , 2 4 ) ( H , 2 2 , 2 5 ) ( H , 2 3 , 2 7 ) |
| InChIKey |
C C I R N X X U W F W J A R - U H F F F A O Y S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | CTSK | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
