| Collection |
D4 : TTD |
| Chemical Name |
LB30057 ( From PubChem : D N C 0 0 0 8 6 3 ) |
| 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 |
| 493.621 g/mol |
3 |
8 |
5.5817 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 6 H 3 1 N 5 O 3 S / c 1 - 3 1 ( 2 2 - 8 - 4 - 5 - 9 - 2 2 ) 2 6 ( 3 2 ) 2 4 ( 1 6 - 1 8 - 1 0 - 1 2 - 2 0 ( 1 3 - 1 1 - 1 8 ) 2 5 ( 2 7 ) 2 9 - 2 8 ) 3 0 - 3 5 ( 3 3 , 3 4 ) 2 3 - 1 5 - 1 4 - 1 9 - 6 - 2 - 3 - 7 - 2 1 ( 1 9 ) 1 7 - 2 3 / h 2 - 3 , 6 - 7 , 1 0 - 1 5 , 1 7 , 2 2 , 2 4 , 3 0 H , 4 - 5 , 8 - 9 , 1 6 , 2 8 H 2 , 1 H 3 , ( H 2 , 2 7 , 2 9 ) / t 2 4 - / m 1 / s 1 |
| InChIKey |
Z P D I C R P C O S Q E D S - X M M P I X P A 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
|
