| Collection |
D4 : TTD |
| Chemical Name |
E-5842 ( From PubChem : A C 1 O C F D 2 ) |
| 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 |
| 492.497 g/mol |
4 |
11 |
1.6761 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 7 H 2 1 F N 4 . C 6 H 8 O 7 / c 1 8 - 1 7 - 5 - 3 - 1 5 ( 4 - 6 - 1 7 ) 1 6 - 7 - 1 1 - 2 1 ( 1 2 - 8 - 1 6 ) 9 - 1 - 2 - 1 0 - 2 2 - 1 4 - 1 9 - 1 3 - 2 0 - 2 2 ; 7 - 3 ( 8 ) 1 - 6 ( 1 3 , 5 ( 1 1 ) 1 2 ) 2 - 4 ( 9 ) 1 0 / h 3 - 7 , 1 3 - 1 4 H , 1 - 2 , 8 - 1 2 H 2 ; 1 3 H , 1 - 2 H 2 , ( H , 7 , 8 ) ( H , 9 , 1 0 ) ( H , 1 1 , 1 2 ) |
| InChIKey |
L T B K O S Q V B V Y J K W - U H F F F A O Y S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Drug(s) | SIGMAR1 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
