| Collection |
D4 : TTD |
| Chemical Name |
cyclotheonamide E4 ( From PubChem : C Y C L O T H E O N A M I D E E 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 |
| 838.993 g/mol |
9 |
19 |
2.5961 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 4 1 H 6 2 N 1 0 O 9 / c 1 - 6 - 2 3 ( 3 ) 2 0 - 3 3 ( 5 4 ) 4 6 - 2 5 ( 5 ) 3 6 ( 5 6 ) 4 9 - 3 0 - 2 2 - 4 5 - 3 2 ( 5 3 ) 1 7 - 1 4 - 2 7 ( 2 1 - 2 6 - 1 2 - 1 5 - 2 8 ( 5 2 ) 1 6 - 1 3 - 2 6 ) 4 7 - 3 8 ( 5 8 ) 3 4 ( 2 4 ( 4 ) 7 - 2 ) 5 0 - 3 9 ( 5 9 ) 3 5 ( 5 5 ) 2 9 ( 1 0 - 8 - 1 8 - 4 4 - 4 1 ( 4 2 ) 4 3 ) 4 8 - 3 7 ( 5 7 ) 3 1 - 1 1 - 9 - 1 9 - 5 1 ( 3 1 ) 4 0 ( 3 0 ) 6 0 / h 1 2 - 1 7 , 2 3 - 2 5 , 2 7 , 2 9 - 3 1 , 3 4 , 5 2 H , 6 - 1 1 , 1 8 - 2 2 H 2 , 1 - 5 H 3 , ( H , 4 5 , 5 3 ) ( H , 4 6 , 5 4 ) ( H , 4 7 , 5 8 ) ( H , 4 8 , 5 7 ) ( H , 4 9 , 5 6 ) ( H , 5 0 , 5 9 ) ( H 4 , 4 2 , 4 3 , 4 4 ) / b 1 7 - 1 4 + / t 2 3 ? , 2 4 - , 2 5 + , 2 7 - , 2 9 + , 3 0 + , 3 1 ? , 3 4 ? / m 1 / s 1 |
| InChIKey |
S J G L O Q S I M V Y U E K - O B S P P A S D 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
|
