| Collection |
D4 : TTD |
| Chemical Name |
Y-39041 ( From PubChem : S U R E C N 4 6 0 3 5 0 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 |
| 451.985 g/mol |
1 |
4 |
5.9683 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 7 H 2 9 N O 3 . C l H / c 1 - 3 - 8 - 2 2 ( 9 - 4 - 1 ) 2 7 ( 2 3 - 1 0 - 5 - 2 - 6 - 1 1 - 2 3 ) 3 1 - 2 4 - 1 2 - 7 - 1 6 - 2 8 ( 1 9 - 2 4 ) 1 7 - 1 5 - 2 1 - 1 3 - 1 4 - 2 5 - 2 6 ( 1 8 - 2 1 ) 3 0 - 2 0 - 2 9 - 2 5 ; / h 1 - 6 , 8 - 1 1 , 1 3 - 1 4 , 1 8 , 2 4 , 2 7 H , 7 , 1 2 , 1 5 - 1 7 , 1 9 - 2 0 H 2 ; 1 H / t 2 4 - ; / m 1 . / s 1 |
| InChIKey |
O U T B W X J A L M T P N D - G J F S D D N B S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | TNF | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
