| Collection |
D4 : TTD |
| Chemical Name |
Carboxyatractyloside ( From PubChem : G U M M I F E R I N ) |
| 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 |
| 846.997 g/mol |
4 |
18 |
0.614 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 1 H 4 6 O 1 8 S 2 . 2 K / c 1 - 1 4 ( 2 ) 9 - 2 1 ( 3 3 ) 4 7 - 2 4 - 2 3 ( 4 9 - 5 1 ( 4 2 , 4 3 ) 4 4 ) 2 2 ( 4 8 - 5 0 ( 3 9 , 4 0 ) 4 1 ) 1 8 ( 1 3 - 3 2 ) 4 6 - 2 6 ( 2 4 ) 4 5 - 1 7 - 1 1 - 2 9 ( 4 ) 1 9 - 6 - 5 - 1 6 - 1 0 - 3 0 ( 1 9 , 2 5 ( 3 4 ) 1 5 ( 1 6 ) 3 ) 8 - 7 - 2 0 ( 2 9 ) 3 1 ( 1 2 - 1 7 , 2 7 ( 3 5 ) 3 6 ) 2 8 ( 3 7 ) 3 8 ; ; / h 1 4 , 1 6 - 2 0 , 2 2 - 2 6 , 3 2 , 3 4 H , 3 , 5 - 1 3 H 2 , 1 - 2 , 4 H 3 , ( H , 3 5 , 3 6 ) ( H , 3 7 , 3 8 ) ( H , 3 9 , 4 0 , 4 1 ) ( H , 4 2 , 4 3 , 4 4 ) ; ; / q ; 2 * + 1 / p - 2 / t 1 6 ? , 1 7 ? , 1 8 ? , 1 9 ? , 2 0 ? , 2 2 ? , 2 3 ? , 2 4 ? , 2 5 - , 2 6 ? , 2 9 - , 3 0 + ; ; / m 1 . . / s 1 |
| InChIKey |
F P J G Z Z Y A Z U K P A D - M U O R G P G U S A - L
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | SLC25A4 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
