| Collection |
D4 : TTD |
| Chemical Name |
KNI-10006 ( From PubChem : C H E M B L 2 3 1 5 2 2 ) |
| 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 |
| 631.782 g/mol |
4 |
10 |
3.9449 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 5 H 4 1 N 3 O 6 S / c 1 - 2 1 - 1 1 - 1 0 - 1 2 - 2 2 ( 2 ) 3 1 ( 2 1 ) 4 4 - 1 9 - 2 8 ( 4 0 ) 3 6 - 2 6 ( 1 7 - 2 3 - 1 3 - 6 - 5 - 7 - 1 4 - 2 3 ) 3 0 ( 4 1 ) 3 4 ( 4 3 ) 3 8 - 2 0 - 4 5 - 3 5 ( 3 , 4 ) 3 2 ( 3 8 ) 3 3 ( 4 2 ) 3 7 - 2 9 - 2 5 - 1 6 - 9 - 8 - 1 5 - 2 4 ( 2 5 ) 1 8 - 2 7 ( 2 9 ) 3 9 / h 5 - 1 6 , 2 6 - 2 7 , 2 9 - 3 0 , 3 2 , 3 9 , 4 1 H , 1 7 - 2 0 H 2 , 1 - 4 H 3 , ( H , 3 6 , 4 0 ) ( H , 3 7 , 4 2 ) / t 2 6 - , 2 7 + , 2 9 - , 3 0 - , 3 2 + / m 0 / s 1 |
| InChIKey |
K K T Y Z Y H U P K X L P L - R I Q J E O N A S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | CTSD | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
