| Collection |
D4 : TTD |
| Chemical Name |
CNI-1493 ( From PubChem : S E M A P I M O D ) |
| 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 |
| 744.896 g/mol |
10 |
20 |
7.1226 |
False(0/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 4 H 5 2 N 1 8 O 2 / c 1 - 1 9 ( 4 5 - 4 9 - 3 1 ( 3 5 ) 3 6 ) 2 3 - 1 3 - 2 4 ( 2 0 ( 2 ) 4 6 - 5 0 - 3 2 ( 3 7 ) 3 8 ) 1 6 - 2 7 ( 1 5 - 2 3 ) 4 3 - 2 9 ( 5 3 ) 1 1 - 9 - 7 - 5 - 6 - 8 - 1 0 - 1 2 - 3 0 ( 5 4 ) 4 4 - 2 8 - 1 7 - 2 5 ( 2 1 ( 3 ) 4 7 - 5 1 - 3 3 ( 3 9 ) 4 0 ) 1 4 - 2 6 ( 1 8 - 2 8 ) 2 2 ( 4 ) 4 8 - 5 2 - 3 4 ( 4 1 ) 4 2 / h 1 3 - 1 8 H , 5 - 1 2 H 2 , 1 - 4 H 3 , ( H , 4 3 , 5 3 ) ( H , 4 4 , 5 4 ) ( H 4 , 3 5 , 3 6 , 4 9 ) ( H 4 , 3 7 , 3 8 , 5 0 ) ( H 4 , 3 9 , 4 0 , 5 1 ) ( H 4 , 4 1 , 4 2 , 5 2 ) / b 4 5 - 1 9 + , 4 6 - 2 0 + , 4 7 - 2 1 + , 4 8 - 2 2 + |
| InChIKey |
P W D Y H M B T P G X C S N - V C B M U G G B S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | MAPK14 | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
