| Collection |
D4 : TTD |
| Chemical Name |
Sp-722 ( From PubChem : C H E M B L 3 2 5 4 1 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 |
| 428.414 g/mol |
4 |
11 |
1.3817 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 7 H 2 0 N 2 O 9 S / c 2 0 - 1 4 ( 2 1 ) 8 - 7 - 1 2 ( 1 6 ( 2 3 ) 2 4 ) 1 8 - 1 5 ( 2 2 ) 1 0 - 3 - 5 - 1 1 ( 6 - 4 - 1 0 ) 2 9 ( 2 7 , 2 8 ) 1 9 - 9 - 1 - 2 - 1 3 ( 1 9 ) 1 7 ( 2 5 ) 2 6 / h 3 - 6 , 1 2 - 1 3 H , 1 - 2 , 7 - 9 H 2 , ( H , 1 8 , 2 2 ) ( H , 2 0 , 2 1 ) ( H , 2 3 , 2 4 ) ( H , 2 5 , 2 6 ) / t 1 2 - , 1 3 + / m 0 / s 1 |
| InChIKey |
N D D O U B G Q R W F V Q M - Q W H C G F S Z S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | TYMS | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
