| Collection |
D4 : TTD |
| Chemical Name |
THYMELEATOXIN ( From PubChem : T H Y M E L E A T O X 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 |
| 628.665 g/mol |
3 |
10 |
2.568 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 6 H 3 6 O 1 0 / c 1 - 1 9 ( 2 ) 3 4 - 2 8 ( 4 2 - 2 5 ( 3 8 ) 1 6 - 1 5 - 2 2 - 1 1 - 7 - 5 - 8 - 1 2 - 2 2 ) 2 1 ( 4 ) 3 5 - 2 4 - 1 7 - 2 0 ( 3 ) 2 7 ( 3 9 ) 3 3 ( 2 4 , 4 1 ) 3 1 ( 4 0 ) 3 2 ( 1 8 - 3 7 ) 2 9 ( 4 3 - 3 2 ) 2 6 ( 3 5 ) 3 0 ( 3 4 ) 4 4 - 3 6 ( 4 5 - 3 4 , 4 6 - 3 5 ) 2 3 - 1 3 - 9 - 6 - 1 0 - 1 4 - 2 3 / h 5 - 1 7 , 2 1 , 2 4 , 2 6 , 2 8 - 3 1 , 3 7 , 4 0 - 4 1 H , 1 , 1 8 H 2 , 2 - 4 H 3 / t 2 1 - , 2 4 ? , 2 6 ? , 2 8 - , 2 9 ? , 3 0 ? , 3 1 - , 3 2 + , 3 3 - , 3 4 + , 3 5 - , 3 6 ? / m 1 / s 1 |
| InChIKey |
O T T F L Y U O N K A F G T - A K L Y A B S U S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | PRKCD | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
