| Collection |
D4 : TTD |
| Chemical Name |
SC-79407 ( From PubChem : D N C 0 0 1 3 0 1 ) |
| 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 |
| 1163.3 g/mol |
5 |
21 |
6.5203 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 8 H 3 8 N 4 O 6 . C 2 4 H 2 8 N 4 O 7 S / c 1 - 4 5 - 3 3 - 1 8 - 2 5 - 1 4 - 1 6 - 4 2 ( 2 3 - 2 8 ( 2 5 ) 1 9 - 3 4 ( 3 3 ) 4 6 - 2 ) 1 5 - 1 3 - 2 4 - 9 - 1 1 - 2 9 ( 1 2 - 1 0 - 2 4 ) 4 0 - 3 8 ( 4 4 ) 3 0 - 2 0 - 3 5 ( 4 7 - 3 ) 3 6 ( 4 8 - 4 ) 2 1 - 3 2 ( 3 0 ) 4 1 - 3 7 ( 4 3 ) 2 7 - 1 7 - 2 6 - 7 - 5 - 6 - 8 - 3 1 ( 2 6 ) 3 9 - 2 2 - 2 7 ; 1 - 2 7 ( 2 ) 3 6 ( 3 3 , 3 4 ) 1 5 - 6 - 4 - 1 4 ( 5 - 7 - 1 5 ) 1 7 - 1 2 - 1 8 - 2 1 ( 1 9 - 1 3 - 2 8 ( 3 ) 1 0 - 8 - 1 6 ( 1 7 ) 1 9 ) 2 5 - 2 3 ( 3 0 ) 2 2 ( 1 8 ) 2 6 - 3 5 - 2 0 ( 9 - 1 1 - 2 9 ) 2 4 ( 3 1 ) 3 2 / h 5 - 1 2 , 1 7 - 2 2 H , 1 3 - 1 6 , 2 3 H 2 , 1 - 4 H 3 , ( H , 4 0 , 4 4 ) ( H , 4 1 , 4 3 ) ; 4 - 7 , 1 2 , 2 0 , 2 9 H , 8 - 1 1 , 1 3 H 2 , 1 - 3 H 3 , ( H , 3 1 , 3 2 ) ( H , 2 5 , 2 6 , 3 0 ) |
| InChIKey |
A C H I J K V H J L X H R S - 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 | F2 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
