| Collection |
D4 : TTD |
| Chemical Name |
CI-992 ( From PubChem : C H E M B L 3 4 8 9 4 ) |
| 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 |
| 708.932 g/mol |
6 |
14 |
4.5262 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 3 H 5 2 N 6 O 7 S 2 / c 1 - 2 2 ( 2 ) 1 7 - 2 9 ( 4 0 ) 3 0 ( 4 1 ) 2 6 ( 1 8 - 2 3 - 9 - 5 - 3 - 6 - 1 0 - 2 3 ) 3 6 - 3 1 ( 4 2 ) 2 7 ( 2 0 - 2 5 - 2 1 - 4 7 - 3 3 ( 3 4 ) 3 5 - 2 5 ) 3 7 - 3 2 ( 4 3 ) 2 8 ( 1 9 - 2 4 - 1 1 - 7 - 4 - 8 - 1 2 - 2 4 ) 3 8 - 4 8 ( 4 4 , 4 5 ) 3 9 - 1 3 - 1 5 - 4 6 - 1 6 - 1 4 - 3 9 / h 4 , 7 - 8 , 1 1 - 1 2 , 2 1 - 2 3 , 2 6 - 3 0 , 3 8 , 4 0 - 4 1 H , 3 , 5 - 6 , 9 - 1 0 , 1 3 - 2 0 H 2 , 1 - 2 H 3 , ( H 2 , 3 4 , 3 5 ) ( H , 3 6 , 4 2 ) ( H , 3 7 , 4 3 ) / t 2 6 - , 2 7 - , 2 8 - , 2 9 - , 3 0 + / m 0 / s 1 |
| InChIKey |
Q G J K H Q R F J G L J L V - V F F R C K C K 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
|
