| Collection |
D4 : TTD |
| Chemical Name |
Zaragozic Acid D2 ( From PubChem : Z A R A G O Z I C A C I D D 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 |
| 706.774 g/mol |
5 |
14 |
4.0904 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 6 H 5 0 O 1 4 / c 1 - 4 - 5 - 6 - 7 - 8 - 9 - 1 3 - 2 1 - 2 7 ( 3 8 ) 4 8 - 2 9 - 2 8 ( 3 9 ) 3 4 ( 4 9 - 3 0 ( 3 1 ( 4 0 ) 4 1 ) 3 5 ( 4 6 , 3 2 ( 4 2 ) 4 3 ) 3 6 ( 2 9 , 5 0 - 3 4 ) 3 3 ( 4 4 ) 4 5 ) 2 2 - 1 5 - 2 0 - 2 6 ( 4 7 - 2 4 ( 3 ) 3 7 ) 2 3 ( 2 ) 1 6 - 1 4 - 1 9 - 2 5 - 1 7 - 1 1 - 1 0 - 1 2 - 1 8 - 2 5 / h 1 0 - 1 2 , 1 4 , 1 7 - 1 9 , 2 3 , 2 6 , 2 8 - 3 0 , 3 9 , 4 6 H , 4 - 9 , 1 3 , 1 5 - 1 6 , 2 0 - 2 2 H 2 , 1 - 3 H 3 , ( H , 4 0 , 4 1 ) ( H , 4 2 , 4 3 ) ( H , 4 4 , 4 5 ) / b 1 9 - 1 4 + / t 2 3 ? , 2 6 ? , 2 8 - , 2 9 - , 3 0 - , 3 4 + , 3 5 - , 3 6 + / m 1 / s 1 |
| InChIKey |
W D L Y A T M I W W D J Q Y - F Y S M Y Q D T S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | FDFT1 | | | Discontinued target |
|
| Download gene sets |
gmt, text, Detailed text
|
