| Collection |
D4 : TTD |
| Chemical Name |
NB1011 ( From PubChem : T H Y M E C T A C 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 |
| 574.316 g/mol |
3 |
11 |
2.2963 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 1 H 2 5 B r N 3 O 9 P / c 1 - 1 3 ( 2 0 ( 2 8 ) 3 1 - 2 ) 2 4 - 3 5 ( 3 0 , 3 4 - 1 5 - 6 - 4 - 3 - 5 - 7 - 1 5 ) 3 2 - 1 2 - 1 7 - 1 6 ( 2 6 ) 1 0 - 1 8 ( 3 3 - 1 7 ) 2 5 - 1 1 - 1 4 ( 8 - 9 - 2 2 ) 1 9 ( 2 7 ) 2 3 - 2 1 ( 2 5 ) 2 9 / h 3 - 9 , 1 1 , 1 3 , 1 6 - 1 8 , 2 6 H , 1 0 , 1 2 H 2 , 1 - 2 H 3 , ( H , 2 4 , 3 0 ) ( H , 2 3 , 2 7 , 2 9 ) / b 9 - 8 + / t 1 3 - , 1 6 - , 1 7 + , 1 8 + , 3 5 + / m 0 / s 1 |
| InChIKey |
C F B L U O R P O F E L C E - Y Y Y Q G I H C S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Ligand | TYMS | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
